| CAS Number | 103593-79-9 |
| Catalog Number | AG019GT2(AGN-PC-0OSHAX) |
| Chemical Name | 3-(2-oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C19H12N2O3/c22-12-14-11-21(15-7-2-1-3-8-15)20-18(14)16-10-13-6-4-5-9-17(13)24-19(16)23/h1-12H |
| InChI Key | RIRMCVUMCVWVMG-UHFFFAOYSA-N |
| MDL Number | MFCD01238731 |
| Molecular Formula | C19H12N2O3 |
| Molecular Weight | 316.3102 |
| SMILES | O=Cc1cn(nc1c1cc2ccccc2oc1=O)c1ccccc1 |
| Synonyms | 3-(2-oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde,
103593-79-9,
AC1LGAPC,
AC1Q6PX7,
MLS000533212,
CHEMBL1587774,
CTK7I0290,
HMS2163G21,
HMS3309B17,
ZINC332799,
AKOS000121695,
MCULE-8668049945,
NE11828,
SMR000140650,
EN300-01044,
3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carbaldehyde,
3-(2-oxo-2h-chromen-3-yl-)-1-phenyl-1h-pyrazole-4-carbaldehyde,
CID818150,
ZINC00332799,
|
| Complexity | 527 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.316g/mol |
| Monoisotopic Mass | 316.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number