115732-15-5
2-BENZOYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
Name2-BENZOYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
1Identification
【Name】
2-BENZOYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD00532902
【English Synonyms】
【Formula】
C17 H15 N O3
【MolWeight】
281.31
【Inchi】
InChI=1S/C17H15NO3/c19-16(12-6-2-1-3-7-12)18-11-14-9-5-4-8-13(14)10-15(18)17(20)21/h1-9,15H,10-11H2,(H,20,21)
【InChIKey】
InChIKey=QBBPKILWLZTVIC-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C(=O)N2Cc3ccccc3CC2C(=O)O
【MOL File】
2-BENZOYL-1,2,3,4-TE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-BENZOYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID.cml