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Home > Other Heterocycles > 80472-68-0
80472-68-0 | 2,3-Dithiaspiro[4.4]nonane, 1-cyclopentylidene-4-methoxy-
CAS No: 80472-68-0 Catalog No: AG0052YC MDL No:
Product Description
Catalog Number:
AG0052YC
Chemical Name:
2,3-Dithiaspiro[4.4]nonane, 1-cyclopentylidene-4-methoxy-
CAS Number:
80472-68-0
Molecular Formula:
C13H20OS2
Molecular Weight:
256.4273
IUPAC Name:
4-cyclopentylidene-1-methoxy-2,3-dithiaspiro[4.4]nonane
InChI:
InChI=1S/C13H20OS2/c1-14-12-13(8-4-5-9-13)11(15-16-12)10-6-2-3-7-10/h12H,2-9H2,1H3
InChI Key:
WLRVPOFDWHHIIK-UHFFFAOYSA-N
SMILES:
COC1SSC(=C2CCCC2)C21CCCC2
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.096g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.422g/mol
Monoisotopic Mass:
256.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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