| CAS Number | 1156510-01-8 |
| Catalog Number | AG019VA9 |
| Chemical Name | ethyl 4-formyl-1-phenyl-1H-pyrazole-3-carboxylate |
| IUPAC Name | ethyl 4-formyl-1-phenylpyrazole-3-carboxylate |
| InChI | InChI=1S/C13H12N2O3/c1-2-18-13(17)12-10(9-16)8-15(14-12)11-6-4-3-5-7-11/h3-9H,2H2,1H3 |
| InChI Key | LUXQUZWWWWBKFW-UHFFFAOYSA-N |
| MDL Number | MFCD11559136 |
| Molecular Formula | C13H12N2O3 |
| Molecular Weight | 244.2460 |
| SMILES | CCOC(C1C(C=O)=CN(C2=CC=CC=C2)N=1)=O |
| Synonyms | ethyl 4-formyl-1-phenyl-1H-pyrazole-3-carboxylate,
1156510-01-8,
EN300-44231,
AC1Q34F0,
CTK6F7632,
MFCD11559136,
ZINC20272113,
AKOS002675442,
MCULE-1155090540,
NE23153,
AS-41887,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.25g/mol |
| Monoisotopic Mass | 244.085g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 61.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number