| CAS Number | 35344-93-5 |
| Catalog Number | AG00C8VI(AGN-PC-0O98FR) |
| Chemical Name | Methyl 4-formyl-1H-pyrazole-3-carboxylate |
| IUPAC Name | methyl 4-formyl-1H-pyrazole-5-carboxylate |
| InChI | InChI=1S/C6H6N2O3/c1-11-6(10)5-4(3-9)2-7-8-5/h2-3H,1H3,(H,7,8) |
| InChI Key | BAJJMGRQZURDLB-UHFFFAOYSA-N |
| MDL Number | MFCD16039772 |
| Molecular Formula | C6H6N2O3 |
| Molecular Weight | 154.1234 |
| SMILES | COC(=O)C1=C(C=NN1)C=O |
| Synonyms | 35344-93-5,
methyl 4-formyl-1H-pyrazole-5-carboxylate,
Methyl 4-formyl-1H-pyrazole-3-carboxylate,
ALBB-016368,
ZX-AN015069,
MFCD16039772,
STL163924,
ZINC59270612,
AKOS005747200,
AKOS015921402,
FCH1051534,
MCULE-4533091634,
methyl 4-formyl-2H-pyrazole-3-carboxylate,
AJ-113423,
T4635,
Y-8053,
methyl 4-formyl-1H-pyrazole-3-carboxylate(SALTDATA,
1H-pyrazole-5-carboxylic acid, 4-formyl-, methyl ester,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.125g/mol |
| Monoisotopic Mass | 154.038g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number