Basic information
- CAS
5604-83-1- Standard SMILES
O=C(O)c1cccc(N2Cc3ccccc3C2)c1- InChIKey
OPNQQNYLEULRRV-UHFFFAOYSA-N- Molecular formula
- C15H13NO2
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.09462866
Names & identifiers
- Preferred name
- 3-(1,3-Dihydro-isoindol-2-yl)-benzoic acid
- IUPAC
- 3-(1,3-dihydroisoindol-2-yl)benzoic acid
Names & synonyms
130373-81-83-(1,3-Dihydro-isoindol-2-yl)-benzoic acid3-(Isoindolin-2-yl)benzoic acid3-(1,3-dihydro-2H-isoindol-2-yl)benzoic acid3-(1,3-dihydroisoindol-2-yl)benzoic acid5604-83-1MFCD007550253-isoindolin-2-ylbenzoic acidCBMicro_025887Oprea1_089716SCHEMBL27113204DTXSID30971416
Show more names
CCG-12745SBB007375STK114151AKOS000300700SB64706BS-35661ST026606SY348818
Database identifiers
- CAS
5604-83-1- PubChem CID
- 937745
- DTXSID
DTXSID30971416
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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