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25957-58-8 | 4(3H)-Pyrimidinone, 2-ethoxy-
CAS No: 25957-58-8 Catalog No: AG002R77 MDL No:MFCD00955841
Product Description
Catalog Number:
AG002R77
Chemical Name:
4(3H)-Pyrimidinone, 2-ethoxy-
CAS Number:
25957-58-8
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD00955841
IUPAC Name:
2-ethoxy-1H-pyrimidin-6-one
InChI:
InChI=1S/C6H8N2O2/c1-2-10-6-7-4-3-5(9)8-6/h3-4H,2H2,1H3,(H,7,8,9)
InChI Key:
CAMDHKGJRSRSJR-UHFFFAOYSA-N
SMILES:
CCOc1nccc(=O)[nH]1
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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