6,9,12-Octadecatrienoic acid, phenylmethyl ester, (Z,Z,Z)-

6,9,12-Octadecatrienoic acid, phenylmethyl ester, (Z,Z,Z)-
Compound Structure:
Synonyms: 6,9,12-Octadecatrienoic acid, phenylmethyl ester, (Z,Z,Z)-;Benzyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate
Compound ID: NMPC-462
PubChem ID:

5368209
Molecular Formula: C25H36O2
Canonical SMILES: CCCCCC=CCC=CCC=CCCCCC(=O)OCC1=CC=CC=C1
InChIKey: JKAJWKJEMDNKAH-QNEBEIHSSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

368.6 g/mol

XLogP3-AA

7.7

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

16

Exact Mass

368.271530387 g/mol

Monoisotopic Mass

368.271530387 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

27

Formal Charge

0

Complexity

428

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

3

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Dalbergia saxatilis
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