7-Octadecadienoic acid

7-Octadecadienoic acid
Compound Structure:
Synonyms: 7-Octadecenoic acid;7E-octadecenoic acid;trans-7-octadecenoic acid;C18:1n-11;(E)-octadec-7-enoic acid;SCHEMBL561609;CHEBI:196195;LMFA01030069
Compound ID: NMPC-491
PubChem ID:

5282756
Molecular Formula: C18H34O2
Canonical SMILES: CCCCCCCCCCC=CCCCCCC(=O)O
InChIKey: RVUCYJXFCAVHNC-VAWYXSNFSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

282.5 g/mol

XLogP3

6.5

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

15

Exact Mass

282.255880323 g/mol

Monoisotopic Mass

282.255880323 g/mol

Topological Polar Surface Area

37.3Ų

Heavy Atom Count

20

Formal Charge

0

Complexity

234

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

7-Octadecenoic acid is a natural product found in Calotropis procera with data available.

Source: PubChem                                                         
Source Species: Nicotiana tabacum
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