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155650-97-8 | 2(1H)-Pyrazinone, 3,5-dimethyl-6-(2-methylpropyl)-
CAS No: 155650-97-8 Catalog No: AG001O3C MDL No:
Product Description
Catalog Number:
AG001O3C
Chemical Name:
2(1H)-Pyrazinone, 3,5-dimethyl-6-(2-methylpropyl)-
CAS Number:
155650-97-8
Molecular Formula:
C10H16N2O
Molecular Weight:
180.2468
IUPAC Name:
3,5-dimethyl-6-(2-methylpropyl)-1H-pyrazin-2-one
InChI:
InChI=1S/C10H16N2O/c1-6(2)5-9-7(3)11-8(4)10(13)12-9/h6H,5H2,1-4H3,(H,12,13)
InChI Key:
CHZJKPGLMQFFIG-UHFFFAOYSA-N
SMILES:
CC(Cc1[nH]c(=O)c(nc1C)C)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.251g/mol
Monoisotopic Mass:
180.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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