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Home > Pyridines > 1306606-95-0
1306606-95-0 | 4-(1,1-dioxo-1lambda6-thiolan-2-yl)pyridin-1-ium-1-olate
CAS No: 1306606-95-0 Catalog No: AG01AHYR MDL No:MFCD18838760
Product Description
Catalog Number:
AG01AHYR
Chemical Name:
4-(1,1-dioxo-1lambda6-thiolan-2-yl)pyridin-1-ium-1-olate
CAS Number:
1306606-95-0
Molecular Formula:
C9H11NO3S
Molecular Weight:
213.2535
MDL Number:
MFCD18838760
IUPAC Name:
2-(1-oxidopyridin-1-ium-4-yl)thiolane 1,1-dioxide
InChI:
InChI=1S/C9H11NO3S/c11-10-5-3-8(4-6-10)9-2-1-7-14(9,12)13/h3-6,9H,1-2,7H2
InChI Key:
OBJIDTIAYIMLHW-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccc(cc1)C1CCCS1(=O)=O
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.251g/mol
Monoisotopic Mass:
213.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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