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202927-41-1 | Thieno[3,4-b][1,4]dioxocin, 2,3,4,5-tetrahydro-
CAS No: 202927-41-1 Catalog No: AG0028KH MDL No:
Product Description
Catalog Number:
AG0028KH
Chemical Name:
Thieno[3,4-b][1,4]dioxocin, 2,3,4,5-tetrahydro-
CAS Number:
202927-41-1
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
IUPAC Name:
2,3,4,5-tetrahydrothieno[3,4-b][1,4]dioxocine
InChI:
InChI=1S/C8H10O2S/c1-2-4-10-8-6-11-5-7(8)9-3-1/h5-6H,1-4H2
InChI Key:
NGDQARFGFFQENN-UHFFFAOYSA-N
SMILES:
C1CCOc2c(OC1)csc2
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.226g/mol
Monoisotopic Mass:
170.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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