methyl-11,14-icosadienoate

methyl-11,14-icosadienoate
Compound Structure:
Synonyms: methyl icosa-11,14-dienoate
Compound ID: NMPC-1259
PubChem ID:

17164
Molecular Formula: C21H38O2
Canonical SMILES: CCCCCC=CCC=CCCCCCCCCCC(=O)OC
InChIKey: GWJCFAOQCNNFAM-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

322.5 g/mol

XLogP3-AA

8

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

17

Exact Mass

322.287180451 g/mol

Monoisotopic Mass

322.287180451 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

23

Formal Charge

0

Complexity

305

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: Senna tora
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