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21550-48-1

21550-48-1 | 6-Acetamidonicotinic acid

CAS No: 21550-48-1 Catalog No: AG0038W2 MDL No:MFCD00129118

Product Description

Catalog Number:
AG0038W2
Chemical Name:
6-Acetamidonicotinic acid
CAS Number:
21550-48-1
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
MDL Number:
MFCD00129118
IUPAC Name:
6-acetamidopyridine-3-carboxylic acid
InChI:
InChI=1S/C8H8N2O3/c1-5(11)10-7-3-2-6(4-9-7)8(12)13/h2-4H,1H3,(H,12,13)(H,9,10,11)
InChI Key:
RXSLHYTZMIUANX-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cn1)C(=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:
-0.1  

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