| CAS Number | 854720-02-8 |
| Catalog Number | AG01AEDO |
| Chemical Name | 4,4-Dimethylcyclohex-1-ene-1-carboxylic acid |
| IUPAC Name | 4,4-dimethylcyclohexene-1-carboxylic acid |
| InChI | InChI=1S/C9H14O2/c1-9(2)5-3-7(4-6-9)8(10)11/h3H,4-6H2,1-2H3,(H,10,11) |
| InChI Key | OXCYCTSYDXQETH-UHFFFAOYSA-N |
| MDL Number | MFCD20641116 |
| Molecular Formula | C9H14O2 |
| Molecular Weight | 154.2063 |
| SMILES | CC1(CC=C(C(O)=O)CC1)C |
| Synonyms | 4,4-dimethylcyclohex-1-ene-1-carboxylic acid,
854720-02-8,
SCHEMBL6862905,
ZINC140003881,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.209g/mol |
| Monoisotopic Mass | 154.099g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number