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Home > Other Heterocycles > 89572-07-6
89572-07-6 | Spiro[1,3-benzodithiole-2,1'-cycloheptane]
CAS No: 89572-07-6 Catalog No: AG003XXC MDL No:
Product Description
Catalog Number:
AG003XXC
Chemical Name:
Spiro[1,3-benzodithiole-2,1'-cycloheptane]
CAS Number:
89572-07-6
Molecular Formula:
C13H16S2
Molecular Weight:
236.3961
IUPAC Name:
spiro[1,3-benzodithiole-2,1'-cycloheptane]
InChI:
InChI=1S/C13H16S2/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12(11)15-13/h3-4,7-8H,1-2,5-6,9-10H2
InChI Key:
KFWWVYQOQMCRBK-UHFFFAOYSA-N
SMILES:
C1CCCCC2(C1)Sc1c(S2)cccc1
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.391g/mol
Monoisotopic Mass:
236.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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