| CAS Number | 1154881-80-7 |
| Catalog Number | AG01B6JQ |
| Chemical Name | 1-(cyclohexylmethyl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-(cyclohexylmethyl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C11H16N2O2/c14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,14,15) |
| InChI Key | BUIWTAWFCROXRE-UHFFFAOYSA-N |
| MDL Number | MFCD12139638 |
| Molecular Formula | C11H16N2O2 |
| Molecular Weight | 208.2569 |
| SMILES | OC(C1=CN(CC2CCCCC2)N=C1)=O |
| Synonyms | 1-(cyclohexylmethyl)-1H-pyrazole-4-carboxylic acid,
1154881-80-7,
ZINC36777963,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.261g/mol |
| Monoisotopic Mass | 208.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number