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Home > Other Heterocycles > 1872291-35-4
1872291-35-4 | 6,6-dioxo-1-oxa-6lambda6-thiaspiro[2.5]octane-2-carbonitrile
CAS No: 1872291-35-4 Catalog No: AG01BO02 MDL No:
Product Description
Catalog Number:
AG01BO02
Chemical Name:
6,6-dioxo-1-oxa-6lambda6-thiaspiro[2.5]octane-2-carbonitrile
CAS Number:
1872291-35-4
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
IUPAC Name:
6,6-dioxo-1-oxa-6λ6-thiaspiro[2.5]octane-2-carbonitrile
InChI:
InChI=1S/C7H9NO3S/c8-5-6-7(11-6)1-3-12(9,10)4-2-7/h6H,1-4H2
InChI Key:
FEJSJISWSSQUEM-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCS(=O)(=O)CC2
Properties
Complexity:
331
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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