| CAS Number | 1177291-38-1 |
| Catalog Number | AG0094R0(AGN-PC-0WBDBQ) |
| Chemical Name | 5-Cyclopropyl-1-methyl-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 5-cyclopropyl-1-methylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C8H10N2O2/c1-10-7(5-2-3-5)4-6(9-10)8(11)12/h4-5H,2-3H2,1H3,(H,11,12) |
| InChI Key | FVKZQLNLKVIBIB-UHFFFAOYSA-N |
| MDL Number | MFCD09965808 |
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.1772 |
| SMILES | C1(CC1)C1=CC(=NN1C)C(=O)O |
| Synonyms | 5-cyclopropyl-1-methyl-1h-pyrazole-3-carboxylic acid,
1177291-38-1,
5-cyclopropyl-1-methylpyrazole-3-carboxylic acid,
SCHEMBL10203516,
ALBB-031413,
BBL104362,
MFCD09965808,
SBB073813,
STL415091,
ZINC11920538,
AKOS005264409,
MCULE-2304788600,
NE46682,
DB-061045,
FT-0741166,
ST45256178,
EN300-87279,
5-Cyclopropyl-1-methyl-pyrazole-3-carboxylic acid,
F2169-0650,
Z1259273386,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.18g/mol |
| Monoisotopic Mass | 166.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number