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155831-56-4 | 2,4(1H,3H)-Pyrimidinedione, 1-[[2-(benzoyloxy)-1-phenylethoxy]methyl]-
CAS No: 155831-56-4 Catalog No: AG001O9I MDL No:
Product Description
Catalog Number:
AG001O9I
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-[[2-(benzoyloxy)-1-phenylethoxy]methyl]-
CAS Number:
155831-56-4
Molecular Formula:
C20H18N2O5
Molecular Weight:
366.3673
IUPAC Name:
[2-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-phenylethyl] benzoate
InChI:
InChI=1S/C20H18N2O5/c23-18-11-12-22(20(25)21-18)14-27-17(15-7-3-1-4-8-15)13-26-19(24)16-9-5-2-6-10-16/h1-12,17H,13-14H2,(H,21,23,25)
InChI Key:
CMWRFIIHHYZRCS-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OCC(c1ccccc1)OCn1ccc(=O)[nH]c1=O
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.122g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.373g/mol
Monoisotopic Mass:
366.122g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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