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Home > Other Heterocycles > 2137630-48-7
2137630-48-7 | 1-oxa-8lambda6-thiaspiro[4.5]decane-4,8,8-trione
CAS No: 2137630-48-7 Catalog No: AG01EK09 MDL No:MFCD31455322
Product Description
Catalog Number:
AG01EK09
Chemical Name:
1-oxa-8lambda6-thiaspiro[4.5]decane-4,8,8-trione
CAS Number:
2137630-48-7
Molecular Formula:
C8H12O4S
Molecular Weight:
204.2435
MDL Number:
MFCD31455322
IUPAC Name:
8,8-dioxo-1-oxa-8λ6-thiaspiro[4.5]decan-4-one
InChI:
InChI=1S/C8H12O4S/c9-7-1-4-12-8(7)2-5-13(10,11)6-3-8/h1-6H2
InChI Key:
NDPLBOLKVIBBMI-UHFFFAOYSA-N
SMILES:
O=C1CCOC21CCS(=O)(=O)CC2
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.046g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.24g/mol
Monoisotopic Mass:
204.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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