1,8-Dimethoxyanthraquinone
PubChem CID
80827
Structure
Molecular Formula
Synonyms
- 1,8-Dimethoxyanthraquinone
- 6407-55-2
- 1,8-dimethoxyanthracene-9,10-dione
- 9,10-Anthracenedione, 1,8-dimethoxy-
- Anthraquinone, 1,8-dimethoxy-
Molecular Weight
268.26 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2025-02-01
Chemical Structure Depiction
CCDC Number
Associated Article
Crystal Structure Data
1,8-dimethoxyanthracene-9,10-dione
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C16H12O4/c1-19-11-7-3-5-9-13(11)16(18)14-10(15(9)17)6-4-8-12(14)20-2/h3-8H,1-2H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
QCSZITHNACKGTF-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
COC1=CC=CC2=C1C(=O)C3=C(C2=O)C=CC=C3OC
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C16H12O4
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- 1,8-Dimethoxyanthraquinone
- 6407-55-2
- 1,8-dimethoxyanthracene-9,10-dione
- 9,10-Anthracenedione, 1,8-dimethoxy-
- Anthraquinone, 1,8-dimethoxy-
- 1,8-Dimethoxy-9,10-anthracenedione
- NSC 30460
- EINECS 229-036-7
- NPF2MDR3G2
- NSC 234746
- Danthron di-methyl derivative
- DTXSID7064314
- NSC-30460
- NSC-234746
- 9, 1,8-dimethoxy-
- Anthraquinone,8-dimethoxy-
- 1,8-DIMETHOXY-9,10-DIHYDROANTHRACENE-9,10-DIONE
- 1,8-dimethoxy-anthracene-9,10-dione
- UNII-NPF2MDR3G2
- SCHEMBL8947495
- DTXCID6044195
- NSC30460
- NSC234746
- 1,8-Dimethoxyanthra-9,10-quinone #
- XD166728
- NS00035632
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
268.26 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
2.8
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
268.07355886 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
268.07355886 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
52.6 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
20
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
371
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
NIST Number
137209
Library
Main library
Total Peaks
182
m/z Top Peak
253
m/z 2nd Highest
139
m/z 3rd Highest
152
Thumbnail
NIST Number
13012
Library
Replicate library
Total Peaks
51
m/z Top Peak
253
m/z 2nd Highest
268
m/z 3rd Highest
251
Thumbnail
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
EPA TSCA Commercial Activity Status
9,10-Anthracenedione, 1,8-dimethoxy-: INACTIVE
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=QCSZITHNACKGTF-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/1,8-Dimethoxy-9,10-anthracenedionehttps://commonchemistry.cas.org/detail?cas_rn=6407-55-2
- ChemIDplus1,8-Dimethoxyanthraquinonehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0006407552ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse1,8-Dimethoxyanthraquinonehttps://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2347461,8-Dimethoxyanthraquinonehttps://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=30460
- EPA Chemicals under the TSCA9,10-Anthracenedione, 1,8-dimethoxy-https://www.epa.gov/chemicals-under-tscaEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- EPA DSSTox9,10-Anthracenedione, 1,8-dimethoxy-https://comptox.epa.gov/dashboard/DTXSID7064314CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-notice1,8-dimethoxyanthraquinonehttps://echa.europa.eu/substance-information/-/substanceinfo/100.026.397
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking1,8-Dimethoxyanthraquinonehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/NPF2MDR3G2
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law9,10-Anthracenedione, 1,8-dimethoxy-http://www.nist.gov/srd/nist1a.cfm
- SpectraBaseDanthron 2MEhttps://spectrabase.com/spectrum/FKuptU2Jd79,10-Anthracenedione, 1,8-dimethoxy-https://spectrabase.com/spectrum/97mCaJY2DcA1,8-DIMETHOXY-9,10-ANTHRACHINONhttps://spectrabase.com/spectrum/F6XSJsQtSGL9,10-Anthracenedione, 1,8-dimethoxy-https://spectrabase.com/spectrum/GpRfFo9Y4y0
- Springer Nature
- SpringerMaterials1,8-dimethoxyanthraquinonehttps://materials.springer.com/substanceprofile/docs/smsid_cwobsfxzptbjuqmh
- The Cambridge Structural Database
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidata9,10-Anthracenedione, 1,8-dimethoxy-https://www.wikidata.org/wiki/Q81991441
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388400027https://pubchem.ncbi.nlm.nih.gov/substance/388400027
CONTENTS