Nona-3,5-diene-2-ol

Nona-3,5-diene-2-ol
Compound Structure:
Synonyms: (3E,5E)-nona-3,5-dien-2-ol; Nona-3,5-dien-2-ol; (3E,5E)-3,5-Nonadien-2-ol
Compound ID: NMPC-1322
PubChem ID:

5363536
Molecular Formula: C9H16O
Canonical SMILES: CCCC=CC=CC(C)O
InChIKey: OSXNSXRYNRPREP-BSWSSELBSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

140.22 g/mol

XLogP3-AA

2.4

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

4

Exact Mass

140.120115130 g/mol

Monoisotopic Mass

140.120115130 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

10

Formal Charge

0

Complexity

114

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

2

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem            
Source Species: Chenopodium ambrosioides
Chrysophyllum albidum
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