Home Carboxys Pyrazinecarboxylic acid, trimethyl- (9CI)

Pyrazinecarboxylic acid, trimethyl- (9CI)

CAS No.:
186534-01-0
Catalog Number:
AG00ANIX
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
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Product Description
Catalog Number:
AG00ANIX
Chemical Name:
Pyrazinecarboxylic acid, trimethyl- (9CI)
CAS Number:
186534-01-0
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD18377781
IUPAC Name:
3,5,6-trimethylpyrazine-2-carboxylic acid
InChI:
InChI=1S/C8H10N2O2/c1-4-5(2)10-7(8(11)12)6(3)9-4/h1-3H3,(H,11,12)
InChI Key:
WVHVVMMOAVPNKV-UHFFFAOYSA-N
SMILES:
Cc1nc(C(=O)O)c(nc1C)C
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Suppression of blood lipid concentrations by volatile Maillard reaction products. Nutrition (Burbank, Los Angeles County, Calif.) 20080101
Properties