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127236-04-8 | 2,4(1H,3H)-Pyrimidinedione, 5-(4-methoxyphenyl)-
CAS No: 127236-04-8 Catalog No: AG000WT3 MDL No:
Product Description
Catalog Number:
AG000WT3
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-(4-methoxyphenyl)-
CAS Number:
127236-04-8
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
IUPAC Name:
5-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C11H10N2O3/c1-16-8-4-2-7(3-5-8)9-6-12-11(15)13-10(9)14/h2-6H,1H3,(H2,12,13,14,15)
InChI Key:
YASYXJPMUQZBNA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1c[nH]c(=O)[nH]c1=O
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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