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Home > Other Heterocycles > 1864685-22-2
1864685-22-2 | 4-methyl-5,5-dioxo-1-oxa-5lambda6-thiaspiro[2.4]heptane-2-carbonitrile
CAS No: 1864685-22-2 Catalog No: AG01BNZS MDL No:MFCD30304619
Product Description
Catalog Number:
AG01BNZS
Chemical Name:
4-methyl-5,5-dioxo-1-oxa-5lambda6-thiaspiro[2.4]heptane-2-carbonitrile
CAS Number:
1864685-22-2
MDL Number:
MFCD30304619
IUPAC Name:
7-methyl-6,6-dioxo-1-oxa-6λ6-thiaspiro[2.4]heptane-2-carbonitrile
InChI:
InChI=1S/C7H9NO3S/c1-5-7(6(4-8)11-7)2-3-12(5,9)10/h5-6H,2-3H2,1H3
InChI Key:
YKXMDJQZEHKXAV-UHFFFAOYSA-N
Properties
Complexity:
360
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:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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