571155-01-6
3-ISOPROPYL-4-OXO-3,4-DIHYDRO-PHTHALAZINE-1-CARBOXYLIC ACID
Name3-ISOPROPYL-4-OXO-3,4-DIHYDRO-PHTHALAZINE-1-CARBOXYLIC ACID
1Identification
【Name】
3-ISOPROPYL-4-OXO-3,4-DIHYDRO-PHTHALAZINE-1-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD03985196
【English Synonyms】
【Formula】
C12 H12 N2 O3
【MolWeight】
232.238
【Inchi】
InChI=1S/C12H12N2O3/c1-7(2)14-11(15)9-6-4-3-5-8(9)10(13-14)12(16)17/h3-7H,1-2H3,(H,16,17)
【InChIKey】
InChIKey=HIMMXXFRGQLXGJ-UHFFFAOYSA-N
【SMILES】
CC(C)n1c(=O)c2ccccc2c(n1)C(=O)O
【MOL File】
3-ISOPROPYL-4-OXO-3,….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-ISOPROPYL-4-OXO-3,4-DIHYDRO-PHTHALAZINE-1-CARBOXYLIC ACID.cml