Undec-10-ynoic acid, undecyl estera

Undec-10-ynoic acid, undecyl estera
Compound Structure:
Synonyms: Undec-10-ynoic acid, undecyl ester
Compound ID: NMPC-1577
PubChem ID:

91692431
Molecular Formula: C22H40O2
Canonical SMILES: CCCCCCCCCCCOC(=O)CCCCCCCCC#C
InChIKey: WJDYXMOOBBAZOX-UHFFFAOYSA-N
About the compound:
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

336.6 g/mol

XLogP3-AA

8.7

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

19

Exact Mass

336.302830514 g/mol

Monoisotopic Mass

336.302830514 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

24

Formal Charge

0

Complexity

313

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source:PubChem
Source Species: Anacardium occidentale
Annona senegalensis
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