CC(=O)OCC1COC2=C(SC(=C2O1)C(=O)OC)C(=O)OC
Name: dimethyl 3-(acetyloxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate
SMILES: CC(=O)OCC1COC2=C(SC(=C2O1)C(=O)OC)C(=O)OC

Molecular Processing

Molecular formula
C13H14O8S
Molecular weight
330.31
Exact mass
330.0409
XLogP
1.02
TPSA
97.36
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
73.54

Supplementary Information

InChIKey: UXHNWRUHTDYYAB-UHFFFAOYSA-N
Synonyme
SCHEMBL4985476UXHNWRUHTDYYAB-UHFFFAOYSA-N2-Acetoxymethyl-2,3-dihydro-thieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid dimethyl ester2-Acetoxymethyl-2,3-dihydro-thieno[3,4-b] [1,4]dioxine-5,7-dicarboxylic acid dimethyl ester
Quelle anzeigen →
An 8 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→