770721-18-1
3-(ISOQUINOLIN-3-YL)PROPANOIC ACID
Name3-(ISOQUINOLIN-3-YL)PROPANOIC ACID
1Identification
【Name】
3-(ISOQUINOLIN-3-YL)PROPANOIC ACID
【CAS】
【MDL】
MFCD11040751
【English Synonyms】
【Formula】
C12 H11 N O2
【MolWeight】
201.224
【Inchi】
InChI=1S/C12H11NO2/c14-12(15)6-5-11-7-9-3-1-2-4-10(9)8-13-11/h1-4,7-8H,5-6H2,(H,14,15)
【InChIKey】
InChIKey=HMQKCTKAHSKQKD-UHFFFAOYSA-N
【SMILES】
c1ccc2cnc(cc2c1)CCC(=O)O
【MOL File】
3-(ISOQUINOLIN-3-YL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(ISOQUINOLIN-3-YL)PROPANOIC ACID.cml