Home Other Building Blocks 5-Acetamidonicotinic acid

5-Acetamidonicotinic acid

CAS No.:
82817-65-0
Catalog Number:
AG0036EP
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$79
- +
5g
98%
In Stock USA
United States
$315
- +
Product Description
Catalog Number:
AG0036EP
Chemical Name:
5-Acetamidonicotinic acid
CAS Number:
82817-65-0
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
MDL Number:
MFCD04115723
IUPAC Name:
5-acetamidopyridine-3-carboxylic acid
InChI:
InChI=1S/C8H8N2O3/c1-5(11)10-7-2-6(8(12)13)3-9-4-7/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key:
KMRQIJRSLWWZAM-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cncc(c1)C(=O)O
NSC Number:
606897
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