| CAS Number | 62581-18-4 |
| Catalog Number | AG01BFUJ(AGN-PC-02OCHB) |
| Chemical Name | 2,2-dimethylcyclohexane-1-carboxylic acid |
| IUPAC Name | 2,2-dimethylcyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C9H16O2/c1-9(2)6-4-3-5-7(9)8(10)11/h7H,3-6H2,1-2H3,(H,10,11) |
| InChI Key | JMJZUGIZIHRTFB-UHFFFAOYSA-N |
| MDL Number | MFCD20639457 |
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.2221 |
| SMILES | CC1(C(C(O)=O)CCCC1)C |
| Synonyms | 2,2-dimethylcyclohexane-1-carboxylic acid,
62581-18-4,
2,2-dimethylcyclohexanecarboxylic acid,
SCHEMBL9939044,
CTK2B6848,
DTXSID10603607,
AKOS017531202,
NE18947,
Cyclohexanecarboxylic acid, 2,2-dimethyl-,
Z1945708064,
|
| Complexity | 161 |
| 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 | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number