56813-55-9
2-(1,3-DIOXO-1H,3H-BENZO(DE)ISOQUINOLIN-2-YL)-BENZOIC ACID
Name2-(1,3-DIOXO-1H,3H-BENZO(DE)ISOQUINOLIN-2-YL)-BENZOIC ACID
1Identification
【Name】
2-(1,3-DIOXO-1H,3H-BENZO(DE)ISOQUINOLIN-2-YL)-BENZOIC ACID
【CAS】
【MDL】
MFCD00181327
【English Synonyms】
【Formula】
C19 H11 N O4
【MolWeight】
317.299
【Inchi】
InChI=1S/C19H11NO4/c21-17-13-8-3-5-11-6-4-9-14(16(11)13)18(22)20(17)15-10-2-1-7-12(15)19(23)24/h1-10H,(H,23,24)
【InChIKey】
InChIKey=ZUTNAGBPVPAWSD-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)C(=O)O)N2C(=O)c3cccc4c3c(ccc4)C2=O
【MOL File】
2-(1,3-DIOXO-1H,3H-B….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
2-(1,3-DIOXO-1H,3H-BENZO(DE)ISOQUINOLIN-2-YL)-BENZOIC ACID.cml