Ethyl 4-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)benzoate
Basic information
- CAS
32620-97-6- Standard SMILES
CCOC(=O)c1ccc(N2C(=O)C3C4C=CC(O4)C3C2=O)cc1- InChIKey
QBAAYTJNDVIWIZ-UHFFFAOYSA-N- Molecular formula
- C17H15NO5
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.09502258
Names & identifiers
- Preferred name
- Ethyl 4-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)benzoate
- IUPAC
- ethyl 4-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)benzoate
Names & synonyms
NSC31018032620-97-6Oprea1_698052Oprea1_778488DTXSID10317030NSC-310180SR-01000421353SR-01000421353-1Ethyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzoate
Database identifiers
- CAS
32620-97-6- PubChem CID
- 329065
- DTXSID
DTXSID10317030
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 548
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Related reactions
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Compound notes
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