Octadeca-10,12-enoic acid

Octadeca-10,12-enoic acid
Compound Structure:
Synonyms: octadeca-10,12-dienoic acid; 10,12-Octadecadienoic acid, (10E,12Z)-; Conjugated Linoleic Acid (10E,12Z); 10(E),12(Z)-Conjugated linoleic acid; (10E,12Z)-octadeca-10,12-dienoicacid.
Compound ID: NMPC-1340
PubChem ID:

49823191
Molecular Formula: C18H32O2
Canonical SMILES: CCCCCC=CC=CCCCCCCCCC(=O)O
InChIKey: GKJZMAHZJGSBKD-UHFFFAOYSA-N
About the compound:

Octadeca-10,12-dienoic acid is a natural product found in Punicagranatum and Leucosceptrumcanum
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

280.4 g/mol

XLogP3

7.1

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

14

Exact Mass

280.240230259 g/mol

Monoisotopic Mass

280.240230259 g/mol

Topological Polar Surface Area

37.3Ų

Heavy Atom Count

20

Formal Charge

0

Complexity

267

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

2

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem            
Source Species: Pterocarpus santalinioides
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