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124703-78-2 | 4(3H)-Pyrimidinone, 6-ethyl-
CAS No: 124703-78-2 Catalog No: AG000MNQ MDL No:MFCD09909797
Product Description
Catalog Number:
AG000MNQ
Chemical Name:
4(3H)-Pyrimidinone, 6-ethyl-
CAS Number:
124703-78-2
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD09909797
IUPAC Name:
4-ethyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C6H8N2O/c1-2-5-3-6(9)8-4-7-5/h3-4H,2H2,1H3,(H,7,8,9)
InChI Key:
SWJOGZCZSPXIJG-UHFFFAOYSA-N
SMILES:
CCc1cc(=O)[nH]cn1
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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