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160346-57-6

160346-57-6 | 7-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-

CAS No: 160346-57-6 Catalog No: AG001RUI MDL No:MFCD06411268

Product Description

Catalog Number:
AG001RUI
Chemical Name:
7-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-
CAS Number:
160346-57-6
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD06411268
IUPAC Name:
1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid
InChI:
InChI=1S/C10H11NO2/c12-10(13)8-2-1-7-3-4-11-6-9(7)5-8/h1-2,5,11H,3-4,6H2,(H,12,13)
InChI Key:
CQNSOIKACZHLHP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)CNCC2

Properties

Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  

Literature

Title Journal
Derivatives of 1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid as novel fibrinogen receptor antagonists. Medicinal chemistry (Shariqah (United Arab Emirates)) 20090301

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