Catalog Number | ACM71777349 |
CAS | 71777-34-9 |
Structure | |
IUPAC Name | Acetic acid;(10R)-10-methyldodecan-1-ol |
Molecular Weight | 260.41 |
Molecular Formula | C15H32O3 |
Canonical SMILES | CCC(C)CCCCCCCCCO.CC(=O)O |
InChI | InChI=1S/C13H28O.C2H4O2/c1-3-13(2)11-9-7-5-4-6-8-10-12-14;1-2(3)4/h13-14H,3-12H2,1-2H3;1H3,(H,3,4)/t13-;/m1./s1 |
InChI Key | LRYHQMDCEIJFJX-BTQNPOSSSA-N |
Complexity | 132 |
Exact Mass | 260.23514488 |
Heavy Atom Count | 18 |
Monoisotopic Mass | 260.23514488 |
Topological Polar Surface Area | 57.5Ų |