55717-59-4
1,2,3,4-TETRAHYDRO-6,7-DIHYDROXY-1-ISOQUINOLINECARBOXYLIC ACID
Name1,2,3,4-TETRAHYDRO-6,7-DIHYDROXY-1-ISOQUINOLINECARBOXYLIC ACID
1Identification
【Name】
1,2,3,4-TETRAHYDRO-6,7-DIHYDROXY-1-ISOQUINOLINECARBOXYLIC ACID
【CAS】
【MDL】
MFCD18207324
【English Synonyms】
【Formula】
C10 H11 N O4
【MolWeight】
209.2
【Inchi】
InChI=1S/C10H11NO4/c12-7-3-5-1-2-11-9(10(14)15)6(5)4-8(7)13/h3-4,9,11-13H,1-2H2,(H,14,15)
【InChIKey】
InChIKey=QEUZCMGJVDEESV-UHFFFAOYSA-N
【SMILES】
c1c2c(cc(c1O)O)C(NCC2)C(=O)O
【MOL File】
1,2,3,4-TETRAHYDRO-6….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:5
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2,3,4-TETRAHYDRO-6,7-DIHYDROXY-1-ISOQUINOLINECARBOXYLIC ACID.cml