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2,5-dioxopyrrolidin-1-yl 3-oxobutanoate

2,5-dioxopyrrolidin-1-yl 3-oxobutanoate

CAS: 139549-71-6

Formula: C8H9NO5

SMILES: CC(=O)CC(=O)ON1C(=O)CCC1=O

IUPAC: 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

Composition: C (48.25%), H (4.56%), N (7.03%), O (40.17%)

Molar Mass: 199.162

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 199.048072394
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey VOIVNIGJPPFYCC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.09
Topological Polar Surface Area 80.75
Polarizability 17.1
Ring Count 1
Rotatable Bond Count 4

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