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17782-03-5

17782-03-5 | 3-Pyridinecarboxylic acid, 2-(acetylamino)-

CAS No: 17782-03-5 Catalog No: AG0025K6 MDL No:MFCD02683024

Product Description

Catalog Number:
AG0025K6
Chemical Name:
3-Pyridinecarboxylic acid, 2-(acetylamino)-
CAS Number:
17782-03-5
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
MDL Number:
MFCD02683024
IUPAC Name:
2-acetamidopyridine-3-carboxylic acid
InChI:
InChI=1S/C8H8N2O3/c1-5(11)10-7-6(8(12)13)3-2-4-9-7/h2-4H,1H3,(H,12,13)(H,9,10,11)
InChI Key:
KRKPMLZTPRQPTR-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ncccc1C(=O)O

Properties

Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.053g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.163g/mol
Monoisotopic Mass:
180.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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