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Specification
The molecular formula of the compound is C12H12N2O3.
The synonyms of the compound are 6-(4-methylphenyl)-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid, 446275-91-8, 4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid, 6-(4-methylphenyl)-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, DTXSID801151377.
The molecular weight of the compound is 232.23 g/mol.
The IUPAC Name of the compound is 4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid.
The InChI of the compound is InChI=1S/C12H12N2O3/c1-7-2-4-8(5-3-7)9-6-10(11(15)16)14-12(17)13-9/h2-6,9H,1H3,(H,15,16)(H2,13,14,17).
The InChIKey of the compound is KQYYDIRBSOVKSK-UHFFFAOYSA-N.
The Canonical SMILES of the compound is CC1=CC=C(C=C1)C2C=C(NC(=O)N2)C(=O)O.
The CAS number of the compound is 446275-91-8.
The XLogP3-AA value of the compound is 1.2.
Yes, the compound is canonicalized.