| CAS Number | 291282-76-3 |
| Catalog Number | AG01A2PB(AGN-PC-0WO3TU) |
| Chemical Name | 2-(3,3-Dimethylcyclohexyl)acetic acid |
| IUPAC Name | 2-(3,3-dimethylcyclohexyl)acetic acid |
| InChI | InChI=1S/C10H18O2/c1-10(2)5-3-4-8(7-10)6-9(11)12/h8H,3-7H2,1-2H3,(H,11,12) |
| InChI Key | LLLKNWOMNJNUHV-UHFFFAOYSA-N |
| MDL Number | MFCD20328443 |
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.2487 |
| SMILES | O=C(O)CC1CC(CCC1)(C)C |
| Synonyms | 2-(3,3-dimethylcyclohexyl)acetic acid,
291282-76-3,
3,3-dimethylCyclohexaneacetic acid,
SCHEMBL7500234,
LLLKNWOMNJNUHV-UHFFFAOYSA-N,
AKOS013793560,
(3,3-Dimethyl-cyclohexyl)-acetic acid,
MCULE-4167404807,
NE43780,
DA-07282,
FT-0749048,
F8880-6733,
Z1520645759,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.252g/mol |
| Monoisotopic Mass | 170.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number