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2,5-dioxo-3-(sodiooxysulfonyl)pyrrolidin-1-yl acetate

2,5-dioxo-3-(sodiooxysulfonyl)pyrrolidin-1-yl acetate

CAS: 152305-87-8

Formula: C6H6NNaO7S

SMILES: CC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O[Na]

IUPAC: 2,5-dioxo-3-[(sodiooxy)sulfonyl]pyrrolidin-1-yl acetate

InChI: InChI=1/C6H7NO7S.Na/c1-3(8)14-7-5(9)2-4(6(7)10)15(11,12)13;/h4H,2H2,1H3,(H,11,12,13);/q;+1/p-1

Composition: C (27.81%), H (2.33%), N (5.40%), Na (8.87%), O (43.21%), S (12.37%)

Molar Mass: 259.16

Atom Count: 22

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 258.97626699
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey VGYOVKDAMGIIJU-UHFFFAOYNA-M
Lipinski's Rule of Five 1
Molar Refractivity 41.96
Topological Polar Surface Area 107.05
Polarizability 20.15
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 152305-87-8 $37.40-$392.70$37.40$76.67$122.49$244.97$392.70
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 152305-87-8 $365.72-$746.55$365.72$548.10$746.55
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