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Home > Imidazoles > 1052562-60-3
1052562-60-3 | 5-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-5-methylimidazolidine-2,4-dione
CAS No: 1052562-60-3 Catalog No: AG01A917 MDL No:MFCD09042563
Product Description
Catalog Number:
AG01A917
Chemical Name:
5-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-5-methylimidazolidine-2,4-dione
CAS Number:
1052562-60-3
Molecular Formula:
C13H14N2O4
Molecular Weight:
262.2613
MDL Number:
MFCD09042563
IUPAC Name:
5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methylimidazolidine-2,4-dione
InChI:
InChI=1S/C13H14N2O4/c1-13(11(16)14-12(17)15-13)5-4-8-2-3-9-10(6-8)19-7-18-9/h2-3,6H,4-5,7H2,1H3,(H2,14,15,16,17)
InChI Key:
QMLBSYGGFAJKGH-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(N1)(C)CCc1ccc2c(c1)OCO2
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.265g/mol
Monoisotopic Mass:
262.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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