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Home > Other Heterocycles > 79253-79-5
79253-79-5 | spiro(3h-2,1-benzoxathiole-3,1'-cyclohexane), 1,1-dioxide
CAS No: 79253-79-5 Catalog No: AG005L9D MDL No:
Product Description
Catalog Number:
AG005L9D
Chemical Name:
spiro(3h-2,1-benzoxathiole-3,1'-cyclohexane), 1,1-dioxide
CAS Number:
79253-79-5
Molecular Formula:
C12H14O3S
Molecular Weight:
238.3028
IUPAC Name:
spiro[2,1λ6-benzoxathiole-3,1'-cyclohexane] 1,1-dioxide
InChI:
InChI=1S/C12H14O3S/c13-16(14)11-7-3-2-6-10(11)12(15-16)8-4-1-5-9-12/h2-3,6-7H,1,4-5,8-9H2
InChI Key:
FWLHSILHPJXBEN-UHFFFAOYSA-N
SMILES:
O=S1(=O)OC2(c3c1cccc3)CCCCC2
NSC Number:
154650
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.066g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.301g/mol
Monoisotopic Mass:
238.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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