| CAS Number | 14352-58-0 |
| Catalog Number | AG01A2DP(AGN-PC-00NMGD) |
| Chemical Name | 2-(1-Methylcyclohexyl)acetic acid |
| IUPAC Name | 2-(1-methylcyclohexyl)acetic acid |
| InChI | InChI=1S/C9H16O2/c1-9(7-8(10)11)5-3-2-4-6-9/h2-7H2,1H3,(H,10,11) |
| InChI Key | LTBPRPATSZONGJ-UHFFFAOYSA-N |
| MDL Number | MFCD14529334 |
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.2221 |
| SMILES | CC1(CCCCC1)CC(=O)O |
| Synonyms | 2-(1-methylcyclohexyl)acetic acid,
14352-58-0,
(1-methylcyclohexyl)acetic acid,
1-Methylcyclohexaneacetic acid,
SCHEMBL178371,
1-methyl-cyclohexaneacetic acid,
LTBPRPATSZONGJ-UHFFFAOYSA-N,
ALBB-032216,
ZINC34128466,
AKOS016344615,
MCULE-7882506747,
NE25482,
BB 0262766,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.225g/mol |
| Monoisotopic Mass | 156.115g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number