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191015-17-5 | 2,5-Pyrrolidinedione, 1-[2-(1,3-benzodioxol-5-yl)ethyl]-
CAS No: 191015-17-5 Catalog No: AG002EZX MDL No:
Product Description
Catalog Number:
AG002EZX
Chemical Name:
2,5-Pyrrolidinedione, 1-[2-(1,3-benzodioxol-5-yl)ethyl]-
CAS Number:
191015-17-5
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
IUPAC Name:
1-[2-(1,3-benzodioxol-5-yl)ethyl]pyrrolidine-2,5-dione
InChI:
InChI=1S/C13H13NO4/c15-12-3-4-13(16)14(12)6-5-9-1-2-10-11(7-9)18-8-17-10/h1-2,7H,3-6,8H2
InChI Key:
FLEZJYTZOODXBI-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1CCc1ccc2c(c1)OCO2
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.25g/mol
Monoisotopic Mass:
247.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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