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114527-53-6 | 3-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-
CAS No: 114527-53-6 Catalog No: AG000EMQ MDL No:MFCD06739005
Product Description
Catalog Number:
AG000EMQ
Chemical Name:
3-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-
CAS Number:
114527-53-6
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD06739005
IUPAC Name:
1,2,3,4-tetrahydroquinoline-3-carboxylic acid
InChI:
InChI=1S/C10H11NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-4,8,11H,5-6H2,(H,12,13)
InChI Key:
INRNDFZVAKDYFY-UHFFFAOYSA-N
SMILES:
OC(=O)C1CNc2c(C1)cccc2
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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