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13337-69-4 | 4-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-
CAS No: 13337-69-4 Catalog No: AG0014RD MDL No:MFCD09834787
Product Description
Catalog Number:
AG0014RD
Chemical Name:
4-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-
CAS Number:
13337-69-4
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD09834787
IUPAC Name:
1,2,3,4-tetrahydroquinoline-4-carboxylic acid
InChI:
InChI=1S/C10H11NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8,11H,5-6H2,(H,12,13)
InChI Key:
LHJKXHUFXRHBBQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCNc2c1cccc2
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
Literature
| Title | Journal |
|---|---|
| Methyl 4-methyl-2-oxo-1,2,5,6-tetra-hydro-4H-pyrrolo[3,2,1-ij]quinoline-6-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20090801 |
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