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Home > Other Building Blocks > 1159813-33-8
1159813-33-8 | 2(1H)-Pyrazinone, 5-acetyl-
CAS No: 1159813-33-8 Catalog No: AG000H9K MDL No:MFCD12400925
Product Description
Catalog Number:
AG000H9K
Chemical Name:
2(1H)-Pyrazinone, 5-acetyl-
CAS Number:
1159813-33-8
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
MDL Number:
MFCD12400925
IUPAC Name:
5-acetyl-1H-pyrazin-2-one
InChI:
InChI=1S/C6H6N2O2/c1-4(9)5-2-8-6(10)3-7-5/h2-3H,1H3,(H,8,10)
InChI Key:
QKRGMTSGTKSZHX-UHFFFAOYSA-N
SMILES:
CC(=O)c1c[nH]c(=O)cn1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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