[(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
PubChem CID
326957
Structure
Molecular Formula
Synonyms
- [(7-methoxy-2-oxo-2H-chromen-4-yl)methyl]phosphonic acid
- [(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
- ((7-methoxy-2-oxo-2H-chromen-4-yl)methyl)phosphonic acid
- FUJ
- NSC299877
Molecular Weight
270.17 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-03-26
- Modify:2025-01-18
Chemical Structure Depiction
(7-methoxy-2-oxochromen-4-yl)methylphosphonic acid
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C11H11O6P/c1-16-8-2-3-9-7(6-18(13,14)15)4-11(12)17-10(9)5-8/h2-5H,6H2,1H3,(H2,13,14,15)
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
HFSBVOLOSSLWNW-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
COC1=CC2=C(C=C1)C(=CC(=O)O2)CP(=O)(O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H11O6P
Computed by PubChem 2.1 (PubChem release 2019.06.18)
- [(7-methoxy-2-oxo-2H-chromen-4-yl)methyl]phosphonic acid
- [(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
- ((7-methoxy-2-oxo-2H-chromen-4-yl)methyl)phosphonic acid
- FUJ
- NSC299877
- CHEMBL4460704
- SCHEMBL19354085
- US10543221, Formula 5
- BDBM426524
- STL522297
- AKOS032439558
- NSC-299877
- US10543221, Compound 72875
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
270.17 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3
Property Value
-0.2
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
270.02932506 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
270.02932506 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
93.1 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
18
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
412
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
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 2019.01.04)
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Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Protein Structures Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=HFSBVOLOSSLWNW-UHFFFAOYSA-N
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- 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-reuse
- Protein Data Bank in Europe (PDBe)
- RCSB Protein Data Bank (RCSB PDB)LICENSEData files contained in the PDB archive (ftp://ftp.wwpdb.org) are free of all copyright restrictions and made fully and freely available for both non-commercial and commercial use. Users of the data should attribute the original authors of that structural data.https://www.rcsb.org/pages/policies
- Springer Nature
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 402959743https://pubchem.ncbi.nlm.nih.gov/substance/402959743
CONTENTS