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17782-10-4 | 3-Pyridinecarboxylic acid, 2-[(2,4-dimethylphenyl)amino]-
CAS No: 17782-10-4 Catalog No: AG0025LB MDL No:MFCD03119354
Product Description
Catalog Number:
AG0025LB
Chemical Name:
3-Pyridinecarboxylic acid, 2-[(2,4-dimethylphenyl)amino]-
CAS Number:
17782-10-4
Molecular Formula:
C14H14N2O2
Molecular Weight:
242.2732
MDL Number:
MFCD03119354
IUPAC Name:
2-(2,4-dimethylanilino)pyridine-3-carboxylic acid
InChI:
InChI=1S/C14H14N2O2/c1-9-5-6-12(10(2)8-9)16-13-11(14(17)18)4-3-7-15-13/h3-8H,1-2H3,(H,15,16)(H,17,18)
InChI Key:
IHGRBDWEPCBBAB-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)Nc1ncccc1C(=O)O
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.278g/mol
Monoisotopic Mass:
242.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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