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20721-17-9 | 2(1H)-Pyrazinone, 5-methyl-
CAS No: 20721-17-9 Catalog No: AG002IWM MDL No:MFCD01693937
Product Description
Catalog Number:
AG002IWM
Chemical Name:
2(1H)-Pyrazinone, 5-methyl-
CAS Number:
20721-17-9
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
MDL Number:
MFCD01693937
IUPAC Name:
5-methyl-1H-pyrazin-2-one
InChI:
InChI=1S/C5H6N2O/c1-4-2-7-5(8)3-6-4/h2-3H,1H3,(H,7,8)
InChI Key:
MJJNWPBBFIRYCW-UHFFFAOYSA-N
SMILES:
Cc1c[nH]c(=O)cn1
UNII:
EX039G48ZE
NSC Number:
143658
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
110.116g/mol
Monoisotopic Mass:
110.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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