AC1L599N
dodecane-1-thiol;2-methylidenebutanoic acid;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid
Also Known As: 2-Propenoic acid, 2-methyl-, telomer with 1-dodecanethiol, ethyl 2-propenoate, methyl 2-methyl-2-propenoate and 2-propenoic acid|C12-H26-S.(C5H8-O2.C5-H8-O2.C4-H6-O2.C3-H4-O2)x-|dodecane-1-thiol; 2-methylidenebutanoic acid; methyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid; prop-2-enoic acid|2-Propenoic acid, 2-methyl-, telomer with 1-dodecanethiol, ethyl2-propenoate, methyl 2-methyl-2-propenoate and 2-propenoic acid
| Molecular Formula | C29H52O8S |
|---|---|
| Molecular Weight | 560.3383 g/mol |
| LogP | 7.5139 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 560.3383 |
| Monoisotopic Mass | 560.3383 |
| Heavy Atoms | 38 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 70969-62-9 |
|---|---|
| SMILES | CCCCCCCCCCCCS.CCC(=C)C(=O)O.CC(=C)C(=O)O.CC(=C)C(=O)OC.C=CC(=O)O |
| InChIKey | BRUAAAQHEMQDPS-UHFFFAOYSA-N |
Product Overview
AC1L599N (CAS 70969-62-9), with molecular formula C29H52O8S and molecular weight 560.3383 g/mol. IUPAC: dodecane-1-thiol;2-methylidenebutanoic acid;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid.
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