(3aR,7aS)-2-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Basic information
- CAS
62950-21-4- Standard SMILES
CN1C(=O)[C@H]2CC=CC[C@H]2C1=O- InChIKey
UAFTWHXBZBAYKV-KNVOCYPGSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- (3aR,7aS)-2-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
- IUPAC
- (3aS,7aR)-2-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Names & synonyms
62950-21-4SCHEMBL2661927DTXSID40452488(3aR,7aS)-2-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione(3aR,7aS)-2-Methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
62950-21-4- PubChem CID
- 11030173
- DTXSID
DTXSID40452488
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 244
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Related reactions
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Compound notes
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