544456-02-2
(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-3-YL)-ACETIC ACID
Name(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-3-YL)-ACETIC ACID
1Identification
【Name】
(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-3-YL)-ACETIC ACID
【CAS】
【MDL】
MFCD12024711
【English Synonyms】
【Formula】
C11 H13 N O2
【MolWeight】
191.229
【Inchi】
InChI=1S/C11H13NO2/c13-11(14)6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10,12H,5-7H2,(H,13,14)
【InChIKey】
InChIKey=QYYIBCOJRFOBDJ-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)CC(NC2)CC(=O)O
【MOL File】
(1,2,3,4-TETRAHYDRO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-3-YL)-ACETIC ACID.cml