Basic information
- CAS
20707-41-9- Standard SMILES
CCOc1ccccc1N1C(=O)C2C3CCC(O3)C2C1=O- InChIKey
QKLVXOYMOLDCNG-UHFFFAOYSA-N- Molecular formula
- C16H17NO4
- Average molar mass
- 287.31 g/mol
- Monoisotopic mass
- 287.11575802
Names & identifiers
- Preferred name
- 2-(2-Ethoxyphenyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
- IUPAC
- 2-(2-ethoxyphenyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Names & synonyms
2-(2-ethoxyphenyl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dioneDTXSID60942912RefChem:1060862DTXCID10137129520707-41-9exo-cis-N-(2-Ethoxyphenyl)-7-oxabicyclo(2.2.1)heptane-2,3-dicarboximide7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(2-ethoxyphenyl)-, exo-(Z)-
Database identifiers
- CAS
20707-41-9- PubChem CID
- 89368
- DTXSID
DTXSID60942912
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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