CID 6544594
Basic information
- CAS
1189948-46-6- Standard SMILES
C[C@]12C=C[C@H](O1)[C@H]1C(=O)NC(=O)[C@H]12- InChIKey
YZJOSRRYPNJSTL-SOVPELCUSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
Names & identifiers
- Preferred name
- CID 6544594
- IUPAC
- (3aS,4S,7R,7aR)-7-methyl-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione
- English name
- (3aR,4R,7S,7aS)-rel-3a,4,7,7a-tetrahydro-4-Methyl-4,7-Epoxy-1H-isoindole-1,3(2H)-dione (Relative stereocheMistry)
- Molecular formula
- C9H9NO3
- Molecular weight
- 179.17
Names & synonyms
4,7-Epoxy-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-4-methyl-, (3aR,4R,7S,7aS)-rel-(3aR,4R,7S,7aS)-rel-3a,4,7,7a-tetrahydro-4-Methyl-4,7-Epoxy-1H-isoindole-1,3(2H)-dione (Relative stereocheMistry)
Database identifiers
- CAS
1189948-46-6
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Boiling point
- 375.4 · 375.4±42.0 °C(Predicted)
- Density
- 1.404 · 1.404±0.06 g/cm3(Predicted)
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Compound notes
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