| CAS Number | 1423026-99-6 |
| Catalog Number | AG01A3FV |
| Chemical Name | 4-(carboxymethoxy)-1-phenyl-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 4-(carboxymethoxy)-1-phenylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C12H10N2O5/c15-10(16)7-19-9-6-14(13-11(9)12(17)18)8-4-2-1-3-5-8/h1-6H,7H2,(H,15,16)(H,17,18) |
| InChI Key | WYBCLGBJJXQTPA-UHFFFAOYSA-N |
| MDL Number | MFCD22741271 |
| Molecular Formula | C12H10N2O5 |
| Molecular Weight | 262.2182 |
| SMILES | OC(COC1C(C(O)=O)=NN(C2=CC=CC=C2)C=1)=O |
| Synonyms | 4-(carboxymethoxy)-1-phenyl-1H-pyrazole-3-carboxylic acid,
1423026-99-6,
ZINC88613615,
AKOS033550304,
MCULE-9395634664,
NE20223,
Z1695729037,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.221g/mol |
| Monoisotopic Mass | 262.059g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number