| CAS Number | 1378852-98-2 |
| Catalog Number | AG01B75T |
| Chemical Name | 4-Cyclopropylcyclohexane-1-carboxylic acid |
| IUPAC Name | 4-cyclopropylcyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C10H16O2/c11-10(12)9-5-3-8(4-6-9)7-1-2-7/h7-9H,1-6H2,(H,11,12) |
| InChI Key | MQWHZJSBTAETGQ-UHFFFAOYSA-N |
| MDL Number | MFCD20660224 |
| Molecular Formula | C10H16O2 |
| Molecular Weight | 168.2328 |
| SMILES | OC(C1CCC(C2CC2)CC1)=O |
| Synonyms | 4-cyclopropylcyclohexane-1-carboxylic acid,
1378852-98-2,
SCHEMBL10086988,
AKOS033949261,
ZINC200580979,
Z2587654867,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.236g/mol |
| Monoisotopic Mass | 168.115g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number