Basic information
- CAS
20711-66-4- Standard SMILES
CC(O)CN1C(=O)C2C3CCC(O3)C2C1=O- InChIKey
GYESKCXGLKLYHY-UHFFFAOYSA-N- Molecular formula
- C11H15NO4
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.10010796
Names & identifiers
- Preferred name
- 2-(2-Hydroxypropyl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
- IUPAC
- 2-(2-hydroxypropyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Names & synonyms
2-(2-hydroxypropyl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dioneDTXSID20942918RefChem:1060886DTXCID40137130120711-66-4BRN 47339127-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(2-hydroxypropyl)-, exo-(Z)-exo,cis-N-(2-Hydroxypropyl)-7-oxabicyclo(2.2.1)heptane-2,3-dicarboximideSCHEMBL3495018
Database identifiers
- CAS
20711-66-4- PubChem CID
- 89371
- DTXSID
DTXSID20942918
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…