9,12-Octadecadienal

9,12-Octadecadienal
Compound Structure:
Synonyms: 9,12-Octadecadienal;26537-70-2;(9E,12E)-octadeca-9,12-dienal;LMFA06000101;SCHEMBL910363;SCHEMBL15720817;DTXSID20880841;CHEBI:165522;(9E,12E)-9,12-Octadecadienal;AS-77936;D92975
Compound ID: NMPC-516
PubChem ID:

5283383

Molecular Formula: C18H32O
Canonical SMILES: CCCCCC=CCC=CCCCCCCCC=O
InChIKey: HXLZULGRVFOIDK-AVQMFFATSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

264.4 g/mol

XLogP3-AA

6.5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

14

Exact Mass

264.245315640 g/mol

Monoisotopic Mass

264.245315640 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

19

Formal Charge

0

Complexity

228

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

2

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         

Source Species: Adenodolichos paniculatus,
Rauvolfia vomitoria
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