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162648-46-6 | 6-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-1-methyl-
CAS No: 162648-46-6 Catalog No: AG001T9Z MDL No:
Product Description
Catalog Number:
AG001T9Z
Chemical Name:
6-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-1-methyl-
CAS Number:
162648-46-6
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
1-methyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
InChI:
InChI=1S/C11H13NO2/c1-12-6-2-3-8-7-9(11(13)14)4-5-10(8)12/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChI Key:
NSGXPBOALKQVNP-UHFFFAOYSA-N
SMILES:
CN1CCCc2c1ccc(c2)C(=O)O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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