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82967-31-5 | 5-Quinolinecarboxylic acid, 8-[(methylamino)methyl]-
CAS No: 82967-31-5 Catalog No: AG004YIW MDL No:
Product Description
Catalog Number:
AG004YIW
Chemical Name:
5-Quinolinecarboxylic acid, 8-[(methylamino)methyl]-
CAS Number:
82967-31-5
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
8-(methylaminomethyl)quinoline-5-carboxylic acid
InChI:
InChI=1S/C12H12N2O2/c1-13-7-8-4-5-10(12(15)16)9-3-2-6-14-11(8)9/h2-6,13H,7H2,1H3,(H,15,16)
InChI Key:
ANYOBZHUAQKVMZ-UHFFFAOYSA-N
SMILES:
CNCc1ccc(c2c1nccc2)C(=O)O
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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