726154-70-7
1-(1H-BENZOIMIDAZOL-2-YL)-6-OXO-1,4,5,6-TETRAHYDRO-PYRIDAZINE-3-CARBOXYLIC ACID
Name1-(1H-BENZOIMIDAZOL-2-YL)-6-OXO-1,4,5,6-TETRAHYDRO-PYRIDAZINE-3-CARBOXYLIC ACID
1Identification
【Name】
1-(1H-BENZOIMIDAZOL-2-YL)-6-OXO-1,4,5,6-TETRAHYDRO-PYRIDAZINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD03964641
【English Synonyms】
【Formula】
C12 H10 N4 O3
【MolWeight】
258.236
【Inchi】
InChI=1S/C12H10N4O3/c17-10-6-5-9(11(18)19)15-16(10)12-13-7-3-1-2-4-8(7)14-12/h1-4H,5-6H2,(H,13,14)(H,18,19)
【InChIKey】
InChIKey=DUGCHUBWLUWFQS-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)[nH]c(n2)N3C(=O)CCC(=N3)C(=O)O
【MOL File】
1-(1H-BENZOIMIDAZOL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(1H-BENZOIMIDAZOL-2-YL)-6-OXO-1,4,5,6-TETRAHYDRO-PYRIDAZINE-3-CARBOXYLIC ACID.cml