2-(2-Ethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid
Basic information
- CAS
690671-26-2- Standard SMILES
CCc1ccccc1N1C(=O)c2ccc(C(=O)O)cc2C1=O- InChIKey
VFPCVSBORBLUMB-UHFFFAOYSA-N- Molecular formula
- C17H13NO4
- Average molar mass
- 295.29 g/mol
- Monoisotopic mass
- 295.0844579
Names & identifiers
- Preferred name
- 2-(2-Ethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid
- IUPAC
- 2-(2-ethylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
- English name
- CHEMBRDG-BB 7031786
- Molecular formula
- C17H13NO4
- Molecular weight
- 295.29
Names & synonyms
690671-26-22-(2-ETHYLPHENYL)-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACIDMFCD031865292-(2-ethylphenyl)-1,3-dioxoisoindole-5-carboxylic acidSTK2749972-(2-ethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acidDTXSID10355513AKOS003277371CCG-353904SB65599CS-0358522F315303
Show more names
CHEMBRDG-BB 70317862-(2-ethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid(SALTDATA: FREE)
SR-01000250085SR-01000250085-12-(2-Ethylphenyl)-1,3-dioxo-5-isoindolinecarboxylic acid2-(2-ethylphenyl)-1,3-dioxo-isoindoline-5-carboxylic acid2-(2-ETHYLPHENYL)-1,3-DIOXOISOINDOLINE-5-CARBOXYLICACID
Database identifiers
- CAS
690671-26-2- PubChem CID
- 804131
- DTXSID
DTXSID10355513
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 489
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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