| CAS Number | 1177299-30-7 |
| Catalog Number | AG01AHHI(AGN-PC-0WO9OS) |
| Chemical Name | 1-cyclohexyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-cyclohexylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C10H14N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,13,14) |
| InChI Key | YBPYKQCBFDDVMV-UHFFFAOYSA-N |
| MDL Number | MFCD09965722 |
| Molecular Formula | C10H14N2O2 |
| Molecular Weight | 194.2304 |
| SMILES | OC(C1=CN(C2CCCCC2)N=C1)=O |
| Synonyms | 1-cyclohexyl-1H-pyrazole-4-carboxylic acid,
1177299-30-7,
SCHEMBL11169558,
MFCD09965722,
ZINC11920445,
AKOS008146651,
MCULE-9444515226,
NE53177,
EN300-74753,
F2169-0518,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.234g/mol |
| Monoisotopic Mass | 194.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number