| CAS Number | 87769-67-3 |
| Catalog Number | AG00IUHO(AGN-PC-0NHXPK) |
| Chemical Name | 3-Oxo-6-phenyl-2,3-dihydropyridazine-4-carboxylic acid |
| IUPAC Name | 6-oxo-3-phenyl-1H-pyridazine-5-carboxylic acid |
| InChI | InChI=1S/C11H8N2O3/c14-10-8(11(15)16)6-9(12-13-10)7-4-2-1-3-5-7/h1-6H,(H,13,14)(H,15,16) |
| InChI Key | PWPFONMCUWVZRW-UHFFFAOYSA-N |
| MDL Number | MFCD21090773 |
| Molecular Formula | C11H8N2O3 |
| Molecular Weight | 216.1928 |
| SMILES | O=C1NN=C(C=C1C(=O)O)C1=CC=CC=C1 |
| Synonyms | 87769-67-3,
3-oxo-6-phenyl-2,3-dihydro-4-pyridazinecarboxylic acid,
3-oxo-6-phenyl-2,3-dihydropyridazine-4-carboxylic acid,
3-Hydroxy-6-phenyl-pyridazine-4-carboxylic acid,
SCHEMBL1925580,
PWPFONMCUWVZRW-UHFFFAOYSA-N,
KS-00001Y2R,
MFCD24386153,
ZINC38876740,
AKOS005265122,
AKOS023368066,
AS-5374,
MCULE-4649140811,
4-carboxy-6-phenyl-2H-pyridazin-3-one,
3-hydroxy-6-phenylpyridazine-4-carboxylic acid,
5X-0023,
2,3-dihydro-3-oxo-6-phenyl-4-pyridazinecarboxylic acid,
F1967-2817,
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| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.196g/mol |
| Monoisotopic Mass | 216.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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