3a,4,7,7a-tetrahydro-2-Methyl-4,7-Epoxy-1H-isoindole-1,3(2H)-dione
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Basic information
- CAS
32620-86-3- Standard SMILES
CN1C(=O)C2C3C=CC(O3)C2C1=O- InChIKey
UFLZCUBVWZZTQZ-UHFFFAOYSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.05824315
Names & identifiers
- Preferred name
- 3a,4,7,7a-tetrahydro-2-Methyl-4,7-Epoxy-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-methyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
- English name
- 3a,4,7,7a-tetrahydro-2-Methyl-4,7-Epoxy-1H-isoindole-1,3(2H)-dione
- Molecular formula
- C9H9NO3
- Molecular weight
- 179.17
Names & synonyms
3a,4,7,7a-tetrahydro-2-Methyl-4,7-Epoxy-1H-isoindole-1,3(2H)-dione32620-86-3Oprea1_825051SCHEMBL84627AKOS002663364AKOS016043101N-methyl-7-oxanorbornene-5,6-dicarboximideZ5407248924,7-Epoxy-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-methyl-
Database identifiers
- CAS
32620-86-3- PubChem CID
- 3383888
- Nikkaji
- J1.435.279A
Properties
Computed structural propertiesFilling in
- XLogP
- -0.9
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Boiling point
- 353.8 · 353.8±42.0 °C(Predicted)
- Density
- 1.401 · 1.401±0.06 g/cm3(Predicted)
- pka
- -7.82 · -7.82±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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