Basic information
- CAS
20141-47-3- Standard SMILES
O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1ccccc1- InChIKey
QJDASFMHCXUEQK-TXEJJXNPSA-N- Molecular formula
- C14H13NO2
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.09462866
Names & identifiers
- Preferred name
- AC1Lgaq5
- IUPAC
- (3aS,7aR)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Names & synonyms
AC1LGAQ520141-47-3DTXSID50354287RefChem:313935DTXCID80305348Rel-(3aR,7aS)-2-phenyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione(3aR,7aS)-2-Phenyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
20141-47-3- PubChem CID
- 767938
- DTXSID
DTXSID50354287
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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