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100142-33-4 | 2(1H)-Pyrazinone, 5,6-dimethyl-3-phenyl-
CAS No: 100142-33-4 Catalog No: AG00013S MDL No:
Product Description
Catalog Number:
AG00013S
Chemical Name:
2(1H)-Pyrazinone, 5,6-dimethyl-3-phenyl-
CAS Number:
100142-33-4
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
IUPAC Name:
5,6-dimethyl-3-phenyl-1H-pyrazin-2-one
InChI:
InChI=1S/C12H12N2O/c1-8-9(2)14-12(15)11(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,14,15)
InChI Key:
UMGSSMTWYYJZTE-UHFFFAOYSA-N
SMILES:
Cc1nc(c2ccccc2)c(=O)[nH]c1C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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