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139549-71-6 | Butanoic acid, 3-oxo-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 139549-71-6 Catalog No: AG001B81 MDL No:MFCD00013444
Product Description
Catalog Number:
AG001B81
Chemical Name:
Butanoic acid, 3-oxo-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
139549-71-6
Molecular Formula:
C8H9NO5
Molecular Weight:
199.1608
MDL Number:
MFCD00013444
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-oxobutanoate
InChI:
InChI=1S/C8H9NO5/c1-5(10)4-8(13)14-9-6(11)2-3-7(9)12/h2-4H2,1H3
InChI Key:
VOIVNIGJPPFYCC-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.048g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.162g/mol
Monoisotopic Mass:
199.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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