52618-26-5
1,2,3,4-TETRAHYDRO-6,7-DIHYDROXY-1-METHYL-3-ISOQUINOLINECARBOXYLIC ACID
Name1,2,3,4-TETRAHYDRO-6,7-DIHYDROXY-1-METHYL-3-ISOQUINOLINECARBOXYLIC ACID
1Identification
【Name】
1,2,3,4-TETRAHYDRO-6,7-DIHYDROXY-1-METHYL-3-ISOQUINOLINECARBOXYLIC ACID
【CAS】
【MDL】
MFCD17010030
【English Synonyms】
【Formula】
C11 H13 N O4
【MolWeight】
223.227
【Inchi】
InChI=1S/C11H13NO4/c1-5-7-4-10(14)9(13)3-6(7)2-8(12-5)11(15)16/h3-5,8,12-14H,2H2,1H3,(H,15,16)
【InChIKey】
InChIKey=DMJYNLHZLIZUQE-UHFFFAOYSA-N
【SMILES】
CC1c2cc(c(cc2CC(N1)C(=O)O)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:-1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1,2,3,4-TETRAHYDRO-6,7-DIHYDROXY-1-METHYL-3-ISOQUINOLINECARBOXYLIC ACID.cml