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64726-42-7 | 2,4-Imidazolidinedione, 5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-, (R)-
CAS No: 64726-42-7 Catalog No: AG00H7UD MDL No:
Product Description
Catalog Number:
AG00H7UD
Chemical Name:
2,4-Imidazolidinedione, 5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-, (R)-
CAS Number:
64726-42-7
Molecular Formula:
C12H12N2O4
Molecular Weight:
248.2347
IUPAC Name:
(5R)-5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
InChI:
InChI=1S/C12H12N2O4/c1-12(10(15)13-11(16)14-12)5-7-2-3-8-9(4-7)18-6-17-8/h2-4H,5-6H2,1H3,(H2,13,14,15,16)/t12-/m1/s1
InChI Key:
GLRYEKZAKBJMNV-GFCCVEGCSA-N
SMILES:
O=C1NC(=O)[C@@](N1)(C)Cc1ccc2c(c1)OCO2
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
248.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.238g/mol
Monoisotopic Mass:
248.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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