| 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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