1H-indene, 2,3-dihydro-1,1-dimethyl

1H-indene, 2,3-dihydro-1,1-dimethyl
Compound Structure:
Synonyms: 1,1-Dimethyl-3-vinylindane;1H-Indene, 3-ethenyl-2,3-dihydro-1,1-dimethyl-
Compound ID: NMPC-088
PubChem ID:

593867
Molecular Formula: C13H16
Canonical SMILES: CC1(CC(C2=CC=CC=C21)C=C)C
InChIKey: GWUGBWWEOVCKPD-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

172.27 g/mol

XLogP3-AA

4.2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

1

Exact Mass

172.125200510 g/mol

Monoisotopic Mass

172.125200510 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

13

Formal Charge

0

Complexity

202

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Carica papaya (C. papaya)
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