Catalog Number |
ACM67701115 |
CAS |
67701-11-5 |
Synonyms |
Isooleic acid |
IUPAC Name |
Octadec-10-enoic acid |
Molecular Weight |
282.5 |
Molecular Formula |
C18H34O2 |
Canonical SMILES |
CCCCCCCC=CCCCCCCCCC(=O)O |
InChI |
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-9H,2-7,10-17H2,1H3,(H,19,20)/b9-8+ |
InChI Key |
QXJSBBXBKPUZAA-CMDGGOBGSA-N |
Complexity |
234 |
Covalently-Bonded Unit Count |
1 |
Defined Atom Stereocenter Count |
0 |
Exact Mass |
282.255880323 |
Heavy Atom Count |
20 |
Hydrogen Bond Acceptor Count |
2 |
Hydrogen Bond Donor Count |
1 |
Isomeric SMILES |
CCCCCCC/C=C/CCCCCCCCC(=O)O |
Monoisotopic Mass |
282.255880323 |
Rotatable Bond Count |
15 |
Topological Polar Surface Area |
37.3 Ų |
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