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114527-54-7 | 5-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-
CAS No: 114527-54-7 Catalog No: AG000EMP MDL No:MFCD08691270
Product Description
Catalog Number:
AG000EMP
Chemical Name:
5-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-
CAS Number:
114527-54-7
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD08691270
IUPAC Name:
1,2,3,4-tetrahydroquinoline-5-carboxylic acid
InChI:
InChI=1S/C10H11NO2/c12-10(13)8-3-1-5-9-7(8)4-2-6-11-9/h1,3,5,11H,2,4,6H2,(H,12,13)
InChI Key:
KEBVOFVJYCXIBZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1CCCN2
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:
1.8
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