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68279-85-6 | 3-methyl-2-(pyridine-4-amido)benzoic acid
CAS No: 68279-85-6 Catalog No: AG019XHA MDL No:MFCD09048646
Product Description
Catalog Number:
AG019XHA
Chemical Name:
3-methyl-2-(pyridine-4-amido)benzoic acid
CAS Number:
68279-85-6
Molecular Formula:
C14H12N2O3
Molecular Weight:
256.2567
MDL Number:
MFCD09048646
IUPAC Name:
3-methyl-2-(pyridine-4-carbonylamino)benzoic acid
InChI:
InChI=1S/C14H12N2O3/c1-9-3-2-4-11(14(18)19)12(9)16-13(17)10-5-7-15-8-6-10/h2-8H,1H3,(H,16,17)(H,18,19)
InChI Key:
ORVJLHWQKFLCCR-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)Nc1c(C)cccc1C(=O)O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.261g/mol
Monoisotopic Mass:
256.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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