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1242338-98-2 | 5-(4-Acetylaminophenyl)picolinic acid
CAS No: 1242338-98-2 Catalog No: AG01FCZB MDL No:
Product Description
Catalog Number:
AG01FCZB
Chemical Name:
5-(4-Acetylaminophenyl)picolinic acid
CAS Number:
1242338-98-2
Molecular Formula:
C14H12N2O3
Molecular Weight:
256.2567
IUPAC Name:
5-(4-acetamidophenyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C14H12N2O3/c1-9(17)16-12-5-2-10(3-6-12)11-4-7-13(14(18)19)15-8-11/h2-8H,1H3,(H,16,17)(H,18,19)
InChI Key:
ATLUDZOLKFJBNB-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)c1ccc(nc1)C(=O)O
Properties
Complexity:
338
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:
1.5
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