Basic information
- CAS
884497-56-7- Standard SMILES
Cc1cc2c(cc1C)CN(c1cccc(C(=O)O)c1)C2- InChIKey
FAGPZTWSFDKCIQ-UHFFFAOYSA-N- Molecular formula
- C17H17NO2
- Average molar mass
- 267.32 g/mol
- Monoisotopic mass
- 267.12592879
Names & identifiers
- Preferred name
- 3-(5,6-dimethyl-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
- IUPAC
- 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)benzoic acid
Names & synonyms
884497-56-73-(5,6-Dimethylisoindolin-2-yl)benzoic acid3-(5,6-dimethyl-1,3-dihydro-2H-isoindol-2-yl)benzoic acidSTK2784293-(5,6-dimethyl-2,3-dihydro-1H-isoindol-2-yl)benzoic acidDTXSID60359268AKOS001685448DB-324266EN300-18275548SR-01000086753SR-01000086753-1
Database identifiers
- CAS
884497-56-7- PubChem CID
- 954476
- DTXSID
DTXSID60359268
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…