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885-65-4 | 2,5-Pyrazinedicarboxylic acid, 3,6-dimethyl-, dimethyl ester
CAS No: 885-65-4 Catalog No: AG004BTF MDL No:
Product Description
Catalog Number:
AG004BTF
Chemical Name:
2,5-Pyrazinedicarboxylic acid, 3,6-dimethyl-, dimethyl ester
CAS Number:
885-65-4
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
IUPAC Name:
dimethyl 3,6-dimethylpyrazine-2,5-dicarboxylate
InChI:
InChI=1S/C10H12N2O4/c1-5-7(9(13)15-3)12-6(2)8(11-5)10(14)16-4/h1-4H3
InChI Key:
SYEIZIOPUYDNGY-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(C)c(nc1C)C(=O)OC
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.216g/mol
Monoisotopic Mass:
224.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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