| CAS Number | 6617-04-5 |
| Catalog Number | AG019XO2(AGN-PC-060H44) |
| Chemical Name | 2-(2-methylcyclohexyl)acetic acid, Mixture of diastereomers |
| IUPAC Name | 2-(2-methylcyclohexyl)acetic acid |
| InChI | InChI=1S/C9H16O2/c1-7-4-2-3-5-8(7)6-9(10)11/h7-8H,2-6H2,1H3,(H,10,11) |
| InChI Key | XZOWBIJUQVPEKP-UHFFFAOYSA-N |
| MDL Number | MFCD11172902 |
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.2221 |
| SMILES | O=C(CC1CCCCC1C)O |
| Synonyms | 2-(2-methylcyclohexyl)acetic Acid,
2-Methylcyclohexaneacetic acid,
6617-04-5,
AC1MOCTK,
AC1Q2R12,
SCHEMBL3276937,
AKOS008113671,
MCULE-8512937446,
NE60799,
EN300-55515,
A1-08457,
2-(2-methylcyclohexyl)acetic acid, Mixture of diastereomers,
CID3367086,
|
| 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