Basic information
- CAS
88894-22-8- Standard SMILES
O=C(O)C1CC(=O)n2c(-c3ccccc3)c3ccccc3c21- InChIKey
SKKFHXLGADFMNX-UHFFFAOYSA-N- Molecular formula
- C18H13NO3
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.08954328
Names & identifiers
- Preferred name
- 3-Oxo-5-phenyl-2,3-dihydro-1h-pyrrolo[2,1-a]isoindole-1-carboxylic acid
- IUPAC
- 3-oxo-5-phenyl-1,2-dihydropyrrolo[2,1-a]isoindole-1-carboxylic acid
Names & synonyms
3-oxo-5-phenyl-2,3-dihydro-1h-pyrrolo[2,1-a]isoindole-1-carboxylic acid88894-22-8NSC89237DTXSID50293400NSC-89237
Database identifiers
- CAS
88894-22-8- PubChem CID
- 259359
- DTXSID
DTXSID50293400
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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