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Home > Other Heterocycles > 86531-73-9
86531-73-9 | 1,4-Dithiaspiro[4.4]non-6-ene-6-methanol, 8-hydroxy-, (R)-
CAS No: 86531-73-9 Catalog No: AG004V4L MDL No:
Product Description
Catalog Number:
AG004V4L
Chemical Name:
1,4-Dithiaspiro[4.4]non-6-ene-6-methanol, 8-hydroxy-, (R)-
CAS Number:
86531-73-9
Molecular Formula:
C8H12O2S2
Molecular Weight:
204.3097
IUPAC Name:
(7R)-9-(hydroxymethyl)-1,4-dithiaspiro[4.4]non-8-en-7-ol
InChI:
InChI=1S/C8H12O2S2/c9-5-6-3-7(10)4-8(6)11-1-2-12-8/h3,7,9-10H,1-2,4-5H2/t7-/m0/s1
InChI Key:
MWBMLDNZOTUTTJ-ZETCQYMHSA-N
SMILES:
OCC1=C[C@@H](CC21SCCS2)O
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
204.028g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.302g/mol
Monoisotopic Mass:
204.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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