861212-63-7
3-(3,4-DIMETHYLPHENYL)-4-OXO-3,4-DIHYDRO-1-PHTHALAZINECARBOXYLIC ACID
Name3-(3,4-DIMETHYLPHENYL)-4-OXO-3,4-DIHYDRO-1-PHTHALAZINECARBOXYLIC ACID
1Identification
【Name】
3-(3,4-DIMETHYLPHENYL)-4-OXO-3,4-DIHYDRO-1-PHTHALAZINECARBOXYLIC ACID
【CAS】
【MDL】
MFCD04125146
【English Synonyms】
【Formula】
C17 H14 N2 O3
【MolWeight】
294.309
【Inchi】
InChI=1S/C17H14N2O3/c1-10-7-8-12(9-11(10)2)19-16(20)14-6-4-3-5-13(14)15(18-19)17(21)22/h3-9H,1-2H3,(H,21,22)
【InChIKey】
InChIKey=ACAKETVNLPNBBN-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1C)n2c(=O)c3ccccc3c(n2)C(=O)O
【MOL File】
3-(3,4-DIMETHYLPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(3,4-DIMETHYLPHENYL)-4-OXO-3,4-DIHYDRO-1-PHTHALAZINECARBOXYLIC ACID.cml