200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1332730-39-8
1332730-39-8 | 2-Pyrazinecarboxylic acid, 3,5,6-trimethyl-, methyl ester
CAS No: 1332730-39-8 Catalog No: AG0014IM MDL No:
Product Description
Catalog Number:
AG0014IM
Chemical Name:
2-Pyrazinecarboxylic acid, 3,5,6-trimethyl-, methyl ester
CAS Number:
1332730-39-8
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
IUPAC Name:
methyl 3,5,6-trimethylpyrazine-2-carboxylate
InChI:
InChI=1S/C9H12N2O2/c1-5-6(2)11-8(7(3)10-5)9(12)13-4/h1-4H3
InChI Key:
KKAPAZGSBHLPDS-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(C)c(nc1C)C
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.