| CAS Number | 52209-77-5 |
| Catalog Number | AG01A010(AGN-PC-0FS2GU) |
| Chemical Name | 3,3-Dimethylcyclohexanecarboxylic Acid |
| IUPAC Name | 3,3-dimethylcyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C9H16O2/c1-9(2)5-3-4-7(6-9)8(10)11/h7H,3-6H2,1-2H3,(H,10,11) |
| InChI Key | JVTKAQYLRKDVOL-UHFFFAOYSA-N |
| MDL Number | MFCD20328521 |
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.2221 |
| SMILES | CC1(CC(C(O)=O)CCC1)C |
| Synonyms | 3,3-dimethylcyclohexane-1-carboxylic acid,
52209-77-5,
3,3-dimethylcyclohexanecarboxylic acid,
SCHEMBL4600499,
CTK1G3101,
DTXSID80734770,
AKOS013792313,
MCULE-1597122526,
NE61005,
Cyclohexanecarboxylic acid, 3,3-dimethyl-,
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| 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 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number