| CAS Number | 178114-25-5 |
| Catalog Number | AG01C3H7(AGN-PC-0O51BR) |
| Chemical Name | ethyl 5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxylate |
| IUPAC Name | ethyl 3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxylate |
| InChI | InChI=1S/C12H12N2O3/c1-2-17-12(16)10-7-9(13-14-10)8-5-3-4-6-11(8)15/h3-7,15H,2H2,1H3,(H,13,14) |
| InChI Key | APVJKAYWKJUVHI-UHFFFAOYSA-N |
| MDL Number | MFCD29762808 |
| Molecular Formula | C12H12N2O3 |
| Molecular Weight | 232.2353 |
| SMILES | CCOC(C1=NNC(C2=C(O)C=CC=C2)=C1)=O |
| Synonyms | 178114-25-5,
ethyl 5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxylate,
Ethyl 5-(2-hydroxyphenyl)pyrazole-3-carboxylate,
AKOS033887456,
ZINC328579331,
J3.513.932J,
Z2379802687,
3-(2-Hydroxyphenyl)-1H-pyrazole-5-carboxylic acid ethyl ester,
|
| Complexity | 273 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.239g/mol |
| Monoisotopic Mass | 232.085g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number