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820250-46-2 | 2-Pyrazinol,3,6-diethyl-, 1,4-dioxide
CAS No: 820250-46-2 Catalog No: AG005CN4 MDL No:
Product Description
Catalog Number:
AG005CN4
Chemical Name:
2-Pyrazinol,3,6-diethyl-, 1,4-dioxide
CAS Number:
820250-46-2
Molecular Formula:
C8H12N2O3
Molecular Weight:
184.1925
IUPAC Name:
3,6-diethyl-1-hydroxy-4-oxidopyrazin-4-ium-2-one
InChI:
InChI=1S/C8H12N2O3/c1-3-6-5-9(12)7(4-2)8(11)10(6)13/h5,13H,3-4H2,1-2H3
InChI Key:
OBDZPFRFVZXOHS-UHFFFAOYSA-N
SMILES:
CCc1c[n+]([O-])c(c([n+]1[O-])O)CC
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.195g/mol
Monoisotopic Mass:
184.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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