9,15 – Octadecadienoic acid

9,15 – Octadecadienoic acid
Compound Structure:
Synonyms: Mangiferic acid;9,15-Octadecadienoic acid;(9E,15E)-octadeca-9,15-dienoic acid;13309-77-8;cis-9,cis-15-Octadecadienoic acid;SCHEMBL1020802;SCHEMBL2941425;CHEBI:170098
Compound ID: NMPC-521
PubChem ID:

6439027
Molecular Formula: C18H32O2
Canonical SMILES: CCC=CCCCCC=CCCCCCCCC(=O)O
InChIKey: AWGFYZFANDHELM-SCPMJEMWSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

280.4 g/mol

XLogP3

6.3

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

2

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Strychnos innocua
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