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67711-62-0 | 2,3-Dioxa-7-thiabicyclo[2.2.1]hept-5-ene, 1,4-dimethyl-
CAS No: 67711-62-0 Catalog No: AG005QDX MDL No:
Product Description
Catalog Number:
AG005QDX
Chemical Name:
2,3-Dioxa-7-thiabicyclo[2.2.1]hept-5-ene, 1,4-dimethyl-
CAS Number:
67711-62-0
Molecular Formula:
C6H8O2S
Molecular Weight:
144.1915
IUPAC Name:
1,4-dimethyl-2,3-dioxa-7-thiabicyclo[2.2.1]hept-5-ene
InChI:
InChI=1S/C6H8O2S/c1-5-3-4-6(2,9-5)8-7-5/h3-4H,1-2H3
InChI Key:
LLTKTVIJCCEOHK-UHFFFAOYSA-N
SMILES:
CC12OOC(S2)(C=C1)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.025g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.188g/mol
Monoisotopic Mass:
144.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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