16015-49-9
3-BENZYL-4-OXO-3,4-DIHYDRO-PHTHALAZINE-1-CARBOXYLIC ACID
Name3-BENZYL-4-OXO-3,4-DIHYDRO-PHTHALAZINE-1-CARBOXYLIC ACID
1Identification
【Name】
3-BENZYL-4-OXO-3,4-DIHYDRO-PHTHALAZINE-1-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD03655875
【English Synonyms】
【Formula】
C16 H12 N2 O3
【MolWeight】
280.282
【Inchi】
InChI=1S/C16H12N2O3/c19-15-13-9-5-4-8-12(13)14(16(20)21)17-18(15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,20,21)
【InChIKey】
InChIKey=ZXWKUKKFDVBJOQ-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)Cn2c(=O)c3ccccc3c(n2)C(=O)O
【MOL File】
3-BENZYL-4-OXO-3,4-D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-BENZYL-4-OXO-3,4-DIHYDRO-PHTHALAZINE-1-CARBOXYLIC ACID.cml