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1-(1,4-diethoxy-1,4-dioxobutan-2-yl)pyridin-1-ium ethyl sulfate

1-(1,4-diethoxy-1,4-dioxobutan-2-yl)pyridin-1-ium ethyl sulfate

Formula: C15H23NO8S

SMILES: CCOS([O-])(=O)=O.CCOC(=O)CC(C(=O)OCC)[N+]1=CC=CC=C1

IUPAC: 1-(1,4-diethoxy-1,4-dioxobutan-2-yl)pyridin-1-ium ethyl sulfate

InChI: InChI=1/C13H18NO4.C2H6O4S/c1-3-17-12(15)10-11(13(16)18-4-2)14-8-6-5-7-9-14;1-2-6-7(3,4)5/h5-9,11H,3-4,10H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1

Composition: C (47.74%), H (6.14%), N (3.71%), O (33.91%), S (8.49%)

Molar Mass: 377.41

Atom Count: 48

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 377.114437879
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey JGDQCSOLUUJYHI-UHFFFAOYNA-M
Lipinski's Rule of Five 1
Molar Refractivity 65.71
Topological Polar Surface Area 56.48
Polarizability 25.96
Ring Count 1
Rotatable Bond Count 10

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Purity LeadTime Formula PacketSize UnitPrice
97% <7 Days C15H23NO8S $347.82-$1,037.85$347.82$1,037.85
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98% <10 Days C15H23NO8S Quote Only
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