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80827-52-7 | 2,4(1H,3H)-Pyrimidinedione, 1-(2,2-dimethyl-1,3-dioxan-5-yl)-
CAS No: 80827-52-7 Catalog No: AG005IOX MDL No:
Product Description
Catalog Number:
AG005IOX
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-(2,2-dimethyl-1,3-dioxan-5-yl)-
CAS Number:
80827-52-7
Molecular Formula:
C10H14N2O4
Molecular Weight:
226.2292
IUPAC Name:
1-(2,2-dimethyl-1,3-dioxan-5-yl)pyrimidine-2,4-dione
InChI:
InChI=1S/C10H14N2O4/c1-10(2)15-5-7(6-16-10)12-4-3-8(13)11-9(12)14/h3-4,7H,5-6H2,1-2H3,(H,11,13,14)
InChI Key:
PHLAQWMOCVPWOT-UHFFFAOYSA-N
SMILES:
CC1(C)OCC(CO1)n1ccc(=O)[nH]c1=O
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.232g/mol
Monoisotopic Mass:
226.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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