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10325-70-9 | 1-(Pyrimidin-5-yl);ethanone
CAS No: 10325-70-9 Catalog No: AG003D1O MDL No:MFCD09038477
Product Description
Catalog Number:
AG003D1O
Chemical Name:
1-(Pyrimidin-5-yl);ethanone
CAS Number:
10325-70-9
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
MDL Number:
MFCD09038477
IUPAC Name:
1-pyrimidin-5-ylethanone
InChI:
InChI=1S/C6H6N2O/c1-5(9)6-2-7-4-8-3-6/h2-4H,1H3
InChI Key:
COTYNDRSENVEFI-UHFFFAOYSA-N
SMILES:
CC(=O)c1cncnc1
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.127g/mol
Monoisotopic Mass:
122.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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