61416-98-6
6-METHYL-2-PHENYLPYRIMIDINE-4,5-DICARBOXYLIC ACID
Name6-METHYL-2-PHENYLPYRIMIDINE-4,5-DICARBOXYLIC ACID
1Identification
【Name】
6-METHYL-2-PHENYLPYRIMIDINE-4,5-DICARBOXYLIC ACID
【CAS】
【MDL】
MFCD16657405
【English Synonyms】
【Formula】
C13 H10 N2 O4
【MolWeight】
258.232
【Inchi】
InChI=1S/C13H10N2O4/c1-7-9(12(16)17)10(13(18)19)15-11(14-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,16,17)(H,18,19)
【InChIKey】
InChIKey=YBKUDFKURJNQIL-UHFFFAOYSA-N
【SMILES】
Cc1c(c(nc(n1)c2ccccc2)C(=O)O)C(=O)O
【MOL File】
6-METHYL-2-PHENYLPYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-METHYL-2-PHENYLPYRIMIDINE-4,5-DICARBOXYLIC ACID.cml