78945-99-0
1-OXO-4-PHENYL-1,2-DIHYDROISOQUINOLINE-3-CARBOXYLIC ACID
Name1-OXO-4-PHENYL-1,2-DIHYDROISOQUINOLINE-3-CARBOXYLIC ACID
1Identification
【Name】
1-OXO-4-PHENYL-1,2-DIHYDROISOQUINOLINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD11042880
【English Synonyms】
【Formula】
C16 H11 N O3
【MolWeight】
265.267
【Inchi】
InChI=1S/C16H11NO3/c18-15-12-9-5-4-8-11(12)13(14(17-15)16(19)20)10-6-2-1-3-7-10/h1-9H,(H,17,18)(H,19,20)
【InChIKey】
InChIKey=QHGFXFOHCVKALF-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2c3ccccc3c(=O)[nH]c2C(=O)O
【MOL File】
1-OXO-4-PHENYL-1,2-D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-OXO-4-PHENYL-1,2-DIHYDROISOQUINOLINE-3-CARBOXYLIC ACID.cml