Home Carboxys 3-acetamidopyridine-2-carboxylic acid

3-acetamidopyridine-2-carboxylic acid

CAS No.:
3303-18-2
Catalog Number:
AG01ABV3
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
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Product Description
Catalog Number:
AG01ABV3
Chemical Name:
3-acetamidopyridine-2-carboxylic acid
CAS Number:
3303-18-2
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
MDL Number:
MFCD18259084
IUPAC Name:
3-acetamidopyridine-2-carboxylic acid
InChI:
InChI=1S/C8H8N2O3/c1-5(11)10-6-3-2-4-9-7(6)8(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key:
AEEOHJDEILSIJN-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cccnc1C(=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  
Properties