Specification
IUPAC Name
2,3-dihydrothieno[3,4-b][1,4]dioxine;(E)-2-phenylethenesulfonic acid
Canonical SMILES
C1COC2=CSC=C2O1.C1=CC=C(C=C1)C=CS(=O)(=O)O
InChI
InChI=1S/C8H8O3S.C6H6O2S/c9-12(10,11)7-6-8-4-2-1-3-5-8;1-2-8-6-4-9-3-5(6)7-1/h1-7H,(H,9,10,11);3-4H,1-2H2/b7-6+;
InChI Key
BGAWZPQKJPTIEA-UHDJGPCESA-N
Density
1.011g/cm³ (dried coatings)
CompoundIs Canonicalized
Yes
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Exact Mass
326.02826589g/mol
Hazard Statements
Xi,T,C,Xn
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
1
Monoisotopic Mass
326.02826589g/mol
Safety Description
26-36/37/39-36-45-53
Topological Polar Surface Area
109Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0