| CAS Number | 1006446-33-8 |
| Catalog Number | AG009105(AGN-PC-0WBABB) |
| Chemical Name | 3-Cyclopropyl-1-ethyl-1H-pyrazole-4-carboxylicacid |
| IUPAC Name | 3-cyclopropyl-1-ethylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C9H12N2O2/c1-2-11-5-7(9(12)13)8(10-11)6-3-4-6/h5-6H,2-4H2,1H3,(H,12,13) |
| InChI Key | IKMAFDSYDTXWHQ-UHFFFAOYSA-N |
| MDL Number | MFCD04970942 |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.2038 |
| SMILES | C1(CC1)C1=NN(C=C1C(=O)O)CC |
| Synonyms | 3-cyclopropyl-1-ethyl-1H-pyrazole-4-carboxylic acid,
1006446-33-8,
3-cyclopropyl-1-ethylpyrazole-4-carboxylic acid,
CTK6F0405,
DTXSID20599128,
ZINC2538710,
7220AC,
MFCD04970942,
SBB022444,
STK347019,
AKOS000302317,
MCULE-4420468233,
AJ-38747,
TR-070820,
ST45133790,
EN300-92698,
3-Cyclopropyl-1-ethyl-1H-pyrazole-4-carboxylicacid,
Z2106593034,
C9H12N2O2,
|
| Complexity | 216 |
| 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 | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number