3,5,7-Cycloheptatriene-1,3-dimethanol

3,5,7-Cycloheptatriene-1,3-dimethanol
Compound Structure:
Synonyms: 3,5,7-Cycloheptatriene-1,3-dimethanol
Compound ID: NMPC-314
PubChem ID:

561621
Molecular Formula: C9H12O2
Canonical SMILES: C1C(=CC=CC=C1CO)CO
InChIKey: AQFCXUAPGOSWEY-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

152.19 g/mol

XLogP3-AA

0

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

2

Exact Mass

152.083729621 g/mol

Monoisotopic Mass

152.083729621 g/mol

Topological Polar Surface Area

40.5Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

190

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Piper guineense
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