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Home > Other Heterocycles > 1862801-42-0
1862801-42-0 | 5,5-dioxo-1-oxa-5lambda6-thiaspiro[2.5]octane-2-carbonitrile
CAS No: 1862801-42-0 Catalog No: AG01BNZX MDL No:
Product Description
Catalog Number:
AG01BNZX
Chemical Name:
5,5-dioxo-1-oxa-5lambda6-thiaspiro[2.5]octane-2-carbonitrile
CAS Number:
1862801-42-0
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
IUPAC Name:
7,7-dioxo-1-oxa-7λ6-thiaspiro[2.5]octane-2-carbonitrile
InChI:
InChI=1S/C7H9NO3S/c8-4-6-7(11-6)2-1-3-12(9,10)5-7/h6H,1-3,5H2
InChI Key:
GTQFCMRGMBMCDO-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCCS(=O)(=O)C2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.213g/mol
Monoisotopic Mass:
187.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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