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140936-33-0 | 2(1H)-Pyrazinone, 5,6-diethyl-
CAS No: 140936-33-0 Catalog No: AG001FNP MDL No:MFCD18427097
Product Description
Catalog Number:
AG001FNP
Chemical Name:
2(1H)-Pyrazinone, 5,6-diethyl-
CAS Number:
140936-33-0
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD18427097
IUPAC Name:
5,6-diethyl-1H-pyrazin-2-one
InChI:
InChI=1S/C8H12N2O/c1-3-6-7(4-2)10-8(11)5-9-6/h5H,3-4H2,1-2H3,(H,10,11)
InChI Key:
YUOUFYKGMFGIFR-UHFFFAOYSA-N
SMILES:
CCc1c(CC)ncc(=O)[nH]1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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