Basic information
- CAS
127311-88-0- Standard SMILES
CCOC(=O)[C@@H]1C[C@H]2O[C@@H]1[C@@H]1C(=O)OC(=O)[C@@H]12- InChIKey
ZIYLSFYPPOEDQP-PVFLNQBWSA-N- Molecular formula
- C11H12O6
- Average molar mass
- 240.21 g/mol
- Monoisotopic mass
- 240.0633881
Names & identifiers
- Preferred name
- Ethyl 1,3-dioxooctahydro-4,7-epoxy-2-benzofuran-5-carboxylate
- IUPAC
- ethyl (1R,2S,6R,7S,8R)-3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decane-8-carboxylate
- English name
- 5-endo-(Ethoxycarbonyl)endothall anhydride
- Molecular formula
- C11H12O6
- Molecular weight
- 240.21
Names & synonyms
127311-88-0DTXSID50925850Ethyl 1,3-dioxooctahydro-4,7-epoxy-2-benzofuran-5-carboxylateRefChem:1084699DTXCID8013546745-endo-(Ethoxycarbonyl)endothall anhydride4,7-Epoxyisobenzofuran-5-carboxylic acid, octahydro-1,3-dioxo-, ethyl ester, (3a-alpha,4-beta,5-alpha,7-beta,7a-alpha)-Ethyl (3aR,4S,5R,7R,7aS)-1,3-dioxooctahydro-4,7-epoxy-2-benzofuran-5-carboxylate
Database identifiers
- CAS
127311-88-0- PubChem CID
- 3080109
- DTXSID
DTXSID50925850
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 403
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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