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145984-66-3 | 1-Propanone, 1-(3,6-dimethyl-2-pyrazinyl)-2-methyl-
CAS No: 145984-66-3 Catalog No: AG001DLE MDL No:
Product Description
Catalog Number:
AG001DLE
Chemical Name:
1-Propanone, 1-(3,6-dimethyl-2-pyrazinyl)-2-methyl-
CAS Number:
145984-66-3
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
IUPAC Name:
1-(3,6-dimethylpyrazin-2-yl)-2-methylpropan-1-one
InChI:
InChI=1S/C10H14N2O/c1-6(2)10(13)9-8(4)11-5-7(3)12-9/h5-6H,1-4H3
InChI Key:
OQMKTWPBFFDWJC-UHFFFAOYSA-N
SMILES:
Cc1cnc(c(n1)C(=O)C(C)C)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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