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Home > Imidazoles > 956437-59-5
956437-59-5 | 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methylimidazolidine-2,4-dione
CAS No: 956437-59-5 Catalog No: AG019O6I MDL No:MFCD06655567
Product Description
Catalog Number:
AG019O6I
Chemical Name:
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methylimidazolidine-2,4-dione
CAS Number:
956437-59-5
Molecular Formula:
C13H14N2O4
Molecular Weight:
262.2613
MDL Number:
MFCD06655567
IUPAC Name:
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methylimidazolidine-2,4-dione
InChI:
InChI=1S/C13H14N2O4/c1-13(11(16)14-12(17)15-13)8-3-4-9-10(7-8)19-6-2-5-18-9/h3-4,7H,2,5-6H2,1H3,(H2,14,15,16,17)
InChI Key:
AHFIUCLSXRMRFA-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(N1)(C)c1ccc2c(c1)OCCCO2
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:
1
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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