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Home > Pyridines > 189368-14-7
189368-14-7 | 1,3,2-Dioxathiolo[4,5-c]pyridine (9CI)
CAS No: 189368-14-7 Catalog No: AG002DLA MDL No:
Product Description
Catalog Number:
AG002DLA
Chemical Name:
1,3,2-Dioxathiolo[4,5-c]pyridine (9CI)
CAS Number:
189368-14-7
Molecular Formula:
C5H3NO2S
Molecular Weight:
141.1478
IUPAC Name:
[1,3,2]dioxathiolo[4,5-c]pyridine
InChI:
InChI=1S/C5H3NO2S/c1-2-6-3-5-4(1)7-9-8-5/h1-3H
InChI Key:
YBYCBDARHOYGQV-UHFFFAOYSA-N
SMILES:
c1ncc2c(c1)OSO2
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.988g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.144g/mol
Monoisotopic Mass:
140.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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