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19838-07-4 | 2(1H)-Pyrazinone, 3-methyl-
CAS No: 19838-07-4 Catalog No: AG002BH2 MDL No:MFCD12974000
Product Description
Catalog Number:
AG002BH2
Chemical Name:
2(1H)-Pyrazinone, 3-methyl-
CAS Number:
19838-07-4
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
MDL Number:
MFCD12974000
IUPAC Name:
3-methyl-1H-pyrazin-2-one
InChI:
InChI=1S/C5H6N2O/c1-4-5(8)7-3-2-6-4/h2-3H,1H3,(H,7,8)
InChI Key:
LDQRWMQHTORUIY-UHFFFAOYSA-N
SMILES:
O=c1[nH]ccnc1C
EC Number:
243-362-7
UNII:
S951QMJ75E
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:
-0.7
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