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113934-96-6 | 2(1H)-Pyrazinone, 1-(2-hydroxyethyl)-3,5,6-trimethyl-
CAS No: 113934-96-6 Catalog No: AG000A3O MDL No:
Product Description
Catalog Number:
AG000A3O
Chemical Name:
2(1H)-Pyrazinone, 1-(2-hydroxyethyl)-3,5,6-trimethyl-
CAS Number:
113934-96-6
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
IUPAC Name:
1-(2-hydroxyethyl)-3,5,6-trimethylpyrazin-2-one
InChI:
InChI=1S/C9H14N2O2/c1-6-8(3)11(4-5-12)9(13)7(2)10-6/h12H,4-5H2,1-3H3
InChI Key:
MDLGFHKUIYELDZ-UHFFFAOYSA-N
SMILES:
OCCn1c(C)c(C)nc(c1=O)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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