2,4,7-trimethyl-2,3-dihydro-1H-indene
PubChem CID
228879
Structure
Molecular Formula
Synonyms
- 6974-99-8
- 2,4,7-trimethyl-2,3-dihydro-1H-indene
- NSC22053
- 1H-Indene,2,3-dihydro-2,4,7-trimethyl-
- DTXSID40281578
Molecular Weight
160.25 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2025-01-18
Chemical Structure Depiction
2,4,7-trimethyl-2,3-dihydro-1H-indene
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C12H16/c1-8-6-11-9(2)4-5-10(3)12(11)7-8/h4-5,8H,6-7H2,1-3H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
RGNDKSSUUISHGP-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC1CC2=C(C=CC(=C2C1)C)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C12H16
Computed by PubChem 2.2 (PubChem release 2021.10.14)
6974-99-8
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
160.25 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
3.7
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
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
160.125200510 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
160.125200510 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
0 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
12
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
143
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)
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Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
- 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
- EPA DSSTox2,4,7-trimethyl-2,3-dihydro-1H-indenehttps://comptox.epa.gov/dashboard/DTXSID40281578
- Wikidata2,4,7-trimethyl-2,3-dihydro-1H-indenehttps://www.wikidata.org/wiki/Q82015576
- PubChem
CONTENTS