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173353-34-9 | 2,5-Pyrrolidinedione, 3-(acetyloxy)-1-(phenylmethyl)-
CAS No: 173353-34-9 Catalog No: AG001YTR MDL No:MFCD03426125
Product Description
Catalog Number:
AG001YTR
Chemical Name:
2,5-Pyrrolidinedione, 3-(acetyloxy)-1-(phenylmethyl)-
CAS Number:
173353-34-9
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
MDL Number:
MFCD03426125
IUPAC Name:
(1-benzyl-2,5-dioxopyrrolidin-3-yl) acetate
InChI:
InChI=1S/C13H13NO4/c1-9(15)18-11-7-12(16)14(13(11)17)8-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChI Key:
BMIVTLPISDRDHK-UHFFFAOYSA-N
SMILES:
CC(=O)OC1CC(=O)N(C1=O)Cc1ccccc1
Properties
Complexity:
360
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:
4
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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