131929-60-7 Purity
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The molecular formula of crepenynic acid is C18H30O2.
The molecular weight of crepenynic acid is 278.4 g/mol.
The IUPAC name of crepenynic acid is (Z)-octadec-9-en-12-ynoic acid.
The InChI of crepenynic acid is InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b10-9-.
The InChIKey of crepenynic acid is SAOSKFBYQJLQOS-KTKRTIGZSA-N.
The canonical SMILES of crepenynic acid is CCCCCC#CCC=CCCCCCCCC(=O)O.
The CAS number of crepenynic acid is 2277-31-8.
The Lipid Maps ID of crepenynic acid is LMFA01030742.
The XLogP3-AA value of crepenynic acid is 6.3.
Crepenynic acid has 12 rotatable bonds.