| CAS Number | 1152603-09-2 |
| Catalog Number | AG01AALS |
| Chemical Name | 4-ethoxy-1-phenyl-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 4-ethoxy-1-phenylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C12H12N2O3/c1-2-17-10-8-14(13-11(10)12(15)16)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,16) |
| InChI Key | YYEVFPAAVMSXBQ-UHFFFAOYSA-N |
| MDL Number | MFCD11133612 |
| Molecular Formula | C12H12N2O3 |
| Molecular Weight | 232.2353 |
| SMILES | CCOC1C(C(O)=O)=NN(C2=CC=CC=C2)C=1 |
| Synonyms | 4-ethoxy-1-phenyl-1H-pyrazole-3-carboxylic acid,
1152603-09-2,
AC1Q383U,
ZINC36882973,
AKOS009288505,
MCULE-1352573756,
NE35275,
EN300-68960,
Z1160899512,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.239g/mol |
| Monoisotopic Mass | 232.085g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number