Basic information
- CAS
62729-50-4- Standard SMILES
CC(=O)OC1SC(OC(C)=O)C2OC(=O)OC12- InChIKey
KLLNIGSJTTUBHJ-UHFFFAOYSA-N- Molecular formula
- C9H10O7S
- Average molar mass
- 262.24 g/mol
- Monoisotopic mass
- 262.01472383
Names & identifiers
- Preferred name
- 6-(Acetyloxy)-2-oxotetrahydrothieno(3,4-d)(1,3)dioxol-4-yl acetate
- IUPAC
- (4-acetyloxy-2-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-6-yl) acetate
Names & synonyms
62729-50-4NSC301200NSC 3012006-(Acetyloxy)-2-oxotetrahydrothieno(3,4-d)(1,3)dioxol-4-yl acetate6-(Acetyloxy)-2-oxotetrahydrothieno[3,4-d][1,3]dioxol-4-yl acetateDTXSID90978360NSC-3012002-Oxotetrahydro-2H-thieno[3,4-d][1,3]dioxole-4,6-diyl diacetate(4-acetoxy-2-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-6-yl) acetate
Database identifiers
- CAS
62729-50-4- PubChem CID
- 327191
- DTXSID
DTXSID90978360
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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