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122888-46-4 | 2,5-Pyrrolidinedione, 3-(acetyloxy)-1-(2,3-butadien-1-yl)-, (3S)-
CAS No: 122888-46-4 Catalog No: AG000JPF MDL No:
Product Description
Catalog Number:
AG000JPF
Chemical Name:
2,5-Pyrrolidinedione, 3-(acetyloxy)-1-(2,3-butadien-1-yl)-, (3S)-
CAS Number:
122888-46-4
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
IUPAC Name:
(1-buta-2,3-dienyl-2,5-dioxopyrrolidin-3-yl) acetate
InChI:
InChI=1S/C10H11NO4/c1-3-4-5-11-9(13)6-8(10(11)14)15-7(2)12/h4,8H,1,5-6H2,2H3
InChI Key:
UWEFXVSPUYALDQ-UHFFFAOYSA-N
SMILES:
C=C=CCN1C(=O)C[C@@H](C1=O)OC(=O)C
Properties
Complexity:
354
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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