Catalog Number | ACM64437247 |
CAS | 64437-24-7 |
IUPAC Name | Acetic acid;tridec-10-en-1-ol |
Molecular Weight | 258.40 |
Molecular Formula | C15H30O3 |
Canonical SMILES | CCC=CCCCCCCCCCO.CC(=O)O |
InChI | InChI=1S/C13H26O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-2(3)4/h3-4,14H,2,5-13H2,1H3;1H3,(H,3,4) |
InChI Key | JWLBJQAMIGMRAR-UHFFFAOYSA-N |
Complexity | 149 |
Exact Mass | 258.21949481 |
Heavy Atom Count | 18 |
Monoisotopic Mass | 258.21949481 |
Topological Polar Surface Area | 57.5Ų |