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Home > Other Heterocycles > 2137793-42-9
2137793-42-9 | 1-oxa-8lambda6-thiaspiro[4.5]dec-2-ene-4,8,8-trione
CAS No: 2137793-42-9 Catalog No: AG01EM33 MDL No:MFCD31434099
Product Description
Catalog Number:
AG01EM33
Chemical Name:
1-oxa-8lambda6-thiaspiro[4.5]dec-2-ene-4,8,8-trione
CAS Number:
2137793-42-9
Molecular Formula:
C8H10O4S
Molecular Weight:
202.2276
MDL Number:
MFCD31434099
IUPAC Name:
8,8-dioxo-1-oxa-8λ6-thiaspiro[4.5]dec-2-en-4-one
InChI:
InChI=1S/C8H10O4S/c9-7-1-4-12-8(7)2-5-13(10,11)6-3-8/h1,4H,2-3,5-6H2
InChI Key:
PWEPQPHKMCSXLW-UHFFFAOYSA-N
SMILES:
O=C1C=COC21CCS(=O)(=O)CC2
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.224g/mol
Monoisotopic Mass:
202.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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