28081-52-9
(3-METHYL-4-OXO-3,4-DIHYDRO-PHTHALAZIN-1-YL)-ACETIC ACID
Name(3-METHYL-4-OXO-3,4-DIHYDRO-PHTHALAZIN-1-YL)-ACETIC ACID
1Identification
【Name】
(3-METHYL-4-OXO-3,4-DIHYDRO-PHTHALAZIN-1-YL)-ACETIC ACID
【CAS】
【MDL】
MFCD01192103
【English Synonyms】
【Formula】
C11 H10 N2 O3
【MolWeight】
218.211
【Inchi】
InChI=1S/C11H10N2O3/c1-13-11(16)8-5-3-2-4-7(8)9(12-13)6-10(14)15/h2-5H,6H2,1H3,(H,14,15)
【InChIKey】
InChIKey=FJIQQZXHNOTAEI-UHFFFAOYSA-N
【SMILES】
Cn1c(=O)c2ccccc2c(n1)CC(=O)O
【MOL File】
(3-METHYL-4-OXO-3,4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3-METHYL-4-OXO-3,4-DIHYDRO-PHTHALAZIN-1-YL)-ACETIC ACID.cml