649722-04-3
1-ISOQUINOLINEACETIC ACID, 1,2,3,4-TETRAHYDRO-6-HYDROXY-, ETHYL ESTER
Name1-ISOQUINOLINEACETIC ACID, 1,2,3,4-TETRAHYDRO-6-HYDROXY-, ETHYL ESTER
1Identification
【Name】
1-ISOQUINOLINEACETIC ACID, 1,2,3,4-TETRAHYDRO-6-HYDROXY-, ETHYL ESTER
【CAS】
【MDL】
MFCD11113278
【English Synonyms】
【Formula】
C13 H17 N O3
【MolWeight】
235.281
【Inchi】
InChI=1S/C13H17NO3/c1-2-17-13(16)8-12-11-4-3-10(15)7-9(11)5-6-14-12/h3-4,7,12,14-15H,2,5-6,8H2,1H3
【InChIKey】
InChIKey=YUZRBBCLUXRIIV-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CC1c2ccc(cc2CCN1)O
【MOL File】
1-ISOQUINOLINEACETIC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-ISOQUINOLINEACETIC ACID, 1,2,3,4-TETRAHYDRO-6-HYDROXY-, ETHYL ESTER.cml