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Home > Other Heterocycles > 29026-66-2
29026-66-2 | Spiro[1,3-benzoxathiole-2,1'-cyclohexane] (8CI,9CI)
CAS No: 29026-66-2 Catalog No: AG002V8M MDL No:
Product Description
Catalog Number:
AG002V8M
Chemical Name:
Spiro[1,3-benzoxathiole-2,1'-cyclohexane] (8CI,9CI)
CAS Number:
29026-66-2
Molecular Formula:
C12H14OS
Molecular Weight:
206.3040
IUPAC Name:
spiro[1,3-benzoxathiole-2,1'-cyclohexane]
InChI:
InChI=1S/C12H14OS/c1-4-8-12(9-5-1)13-10-6-2-3-7-11(10)14-12/h2-3,6-7H,1,4-5,8-9H2
InChI Key:
MNITVERLBLBQIF-UHFFFAOYSA-N
SMILES:
C1CCC2(CC1)Oc1c(S2)cccc1
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.303g/mol
Monoisotopic Mass:
206.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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