Home Carboxys 5-Acetylpyrazine-2-carboxylic acid

5-Acetylpyrazine-2-carboxylic acid

CAS No.:
118543-96-7
Catalog Number:
AG007Q3I
Molecular Formula:
C7H6N2O3
Molecular Weight:
166.1341
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG007Q3I
Chemical Name:
5-Acetylpyrazine-2-carboxylic acid
CAS Number:
118543-96-7
Molecular Formula:
C7H6N2O3
Molecular Weight:
166.1341
MDL Number:
MFCD17014897
IUPAC Name:
5-acetylpyrazine-2-carboxylic acid
InChI:
InChI=1S/C7H6N2O3/c1-4(10)5-2-9-6(3-8-5)7(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
HMUCEWYEXBWAGY-UHFFFAOYSA-N
SMILES:
CC(=O)c1cnc(cn1)C(=O)O
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.038g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.136g/mol
Monoisotopic Mass:
166.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties