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Home > Other Heterocycles > 78309-08-7
78309-08-7 | Spiro[1,3-benzodithiole-2,1'-cyclopentane]
CAS No: 78309-08-7 Catalog No: AG0053QC MDL No:
Product Description
Catalog Number:
AG0053QC
Chemical Name:
Spiro[1,3-benzodithiole-2,1'-cyclopentane]
CAS Number:
78309-08-7
Molecular Formula:
C11H12S2
Molecular Weight:
208.3430
IUPAC Name:
spiro[1,3-benzodithiole-2,1'-cyclopentane]
InChI:
InChI=1S/C11H12S2/c1-2-6-10-9(5-1)12-11(13-10)7-3-4-8-11/h1-2,5-6H,3-4,7-8H2
InChI Key:
BAOSTKCQPSRNQU-UHFFFAOYSA-N
SMILES:
C1CCC2(C1)Sc1c(S2)cccc1
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.337g/mol
Monoisotopic Mass:
208.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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