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138656-74-3 | 4,7-Methanobenzo[b]thiophene, octahydro-
CAS No: 138656-74-3 Catalog No: AG0018XY MDL No:
Product Description
Catalog Number:
AG0018XY
Chemical Name:
4,7-Methanobenzo[b]thiophene, octahydro-
CAS Number:
138656-74-3
Molecular Formula:
C9H14S
Molecular Weight:
154.2725
IUPAC Name:
3-thiatricyclo[5.2.1.02,6]decane
InChI:
InChI=1S/C9H14S/c1-2-7-5-6(1)8-3-4-10-9(7)8/h6-9H,1-5H2
InChI Key:
OSCKVVMJFWPSIT-UHFFFAOYSA-N
SMILES:
C1CC2C(S1)C1CC2CC1
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.082g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.271g/mol
Monoisotopic Mass:
154.082g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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