| CAS Number | 67451-76-7 |
| Catalog Number | AG01A8PJ(AGN-PC-042A7E) |
| Chemical Name | 2-(3-methylcyclohexyl)acetic acid, Mixture of diastereomers |
| IUPAC Name | 2-(3-methylcyclohexyl)acetic acid |
| InChI | InChI=1S/C9H16O2/c1-7-3-2-4-8(5-7)6-9(10)11/h7-8H,2-6H2,1H3,(H,10,11) |
| InChI Key | AEWINPKFTZLDHZ-UHFFFAOYSA-N |
| MDL Number | MFCD11172901 |
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.2221 |
| SMILES | O=C(O)CC1CC(C)CCC1 |
| Synonyms | 2-(3-methylcyclohexyl)acetic acid,
3-Methylcyclohexaneacetic acid,
67451-76-7,
AC1Q2QZW,
SCHEMBL2230762,
(3-methylcyclohexyl)acetic acid,
AEWINPKFTZLDHZ-UHFFFAOYSA-N,
AKOS009220621,
NE36596,
EN300-62251,
2-(3-methylcyclohexyl)acetic acid, Mixture of diastereomers,
3-METHYLCYCLOHEXYLACETATE,
22597-21-3,
|
| Complexity | 143 |
| 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 | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number