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1368650-74-1 | 2,4(1H,3H)-Pyrimidinedione, 6-(4-ethoxyphenyl)-
CAS No: 1368650-74-1 Catalog No: AG0012I0 MDL No:MFCD00568371
Product Description
Catalog Number:
AG0012I0
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-(4-ethoxyphenyl)-
CAS Number:
1368650-74-1
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD00568371
IUPAC Name:
6-(4-ethoxyphenyl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C12H12N2O3/c1-2-17-9-5-3-8(4-6-9)10-7-11(15)14-12(16)13-10/h3-7H,2H2,1H3,(H2,13,14,15,16)
InChI Key:
NUHVOOYMNIMUDH-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)c1cc(=O)[nH]c(=O)[nH]1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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