Name: 2,3-dihydro-thieno[3,4-b][1,4]dioxine-5-carboxylic acid
SMILES:
O=C(O)c1scc2c1OCCO2Molecular Processing
Molecular formula
C7H6O4S
Molecular weight
186.19
Exact mass
185.9987
XLogP
1.22
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
42.27
Supplementary Information
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