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Home > Other Heterocycles > 1866900-93-7
1866900-93-7 | 2-(hydroxymethyl)-1-oxa-8lambda6-thiaspiro[4.5]decane-8,8-dione
CAS No: 1866900-93-7 Catalog No: AG01BYGD MDL No:MFCD30223268
Product Description
Catalog Number:
AG01BYGD
Chemical Name:
2-(hydroxymethyl)-1-oxa-8lambda6-thiaspiro[4.5]decane-8,8-dione
CAS Number:
1866900-93-7
Molecular Formula:
C9H16O4S
Molecular Weight:
220.2859
MDL Number:
MFCD30223268
IUPAC Name:
(8,8-dioxo-1-oxa-8λ6-thiaspiro[4.5]decan-2-yl)methanol
InChI:
InChI=1S/C9H16O4S/c10-7-8-1-2-9(13-8)3-5-14(11,12)6-4-9/h8,10H,1-7H2
InChI Key:
LMNDMJWUHDNVKK-UHFFFAOYSA-N
SMILES:
OCC1CCC2(O1)CCS(=O)(=O)CC2
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.283g/mol
Monoisotopic Mass:
220.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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