98698-22-7
7-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
Name7-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
1Identification
【Name】
7-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09998905
【English Synonyms】
【Formula】
C11 H13 N O2
【MolWeight】
191.229
【Inchi】
InChI=1S/C11H13NO2/c1-7-2-3-8-5-10(11(13)14)12-6-9(8)4-7/h2-4,10,12H,5-6H2,1H3,(H,13,14)
【InChIKey】
InChIKey=IFKNWIVAOLUMOT-UHFFFAOYSA-N
【SMILES】
Cc1ccc2c(c1)CNC(C2)C(=O)O
【MOL File】
7-METHYL-1,2,3,4-TET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
7-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID.cml