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1259479-68-9 | 2-Pyrazinecarboxylic acid, 3,5-dimethyl-, ethyl ester
CAS No: 1259479-68-9 Catalog No: AG000QL7 MDL No:
Product Description
Catalog Number:
AG000QL7
Chemical Name:
2-Pyrazinecarboxylic acid, 3,5-dimethyl-, ethyl ester
CAS Number:
1259479-68-9
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
IUPAC Name:
ethyl 3,5-dimethylpyrazine-2-carboxylate
InChI:
InChI=1S/C9H12N2O2/c1-4-13-9(12)8-7(3)11-6(2)5-10-8/h5H,4H2,1-3H3
InChI Key:
YSFKVHDUNUCQIE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncc(nc1C)C
Properties
Complexity:
185
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:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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