| CAS Number | 1006348-93-1 |
| Catalog Number | AG00JEVH(AGN-PC-0WBAMS) |
| Chemical Name | 1-Cyclopentyl-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-cyclopentylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C9H12N2O2/c12-9(13)8-5-6-11(10-8)7-3-1-2-4-7/h5-7H,1-4H2,(H,12,13) |
| InChI Key | WNGBMCKWXJZZNO-UHFFFAOYSA-N |
| MDL Number | MFCD06805221 |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.2038 |
| SMILES | OC(C1=NN(C2CCCC2)C=C1)=O |
| Synonyms | 1-cyclopentyl-1H-pyrazole-3-carboxylic acid,
1006348-93-1,
1-cyclopentylpyrazole-3-carboxylic acid,
CTK7J0301,
MFCD06805221,
SBB022922,
STK350115,
ZINC11920558,
AKOS000308823,
MCULE-6582971717,
NE30900,
FT-0720767,
ST45115687,
EN300-92901,
1-Cyclopentyl-1H-pyrazole-3-carboxylic acid, AldrichCPR,
F2169-0900,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.207g/mol |
| Monoisotopic Mass | 180.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number