2-(2-Hydroxyethyl)-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylic acid
Basic information
- CAS
17329-32-7- Standard SMILES
O=C(O)c1ccc2c(c1)C(=O)N(CCO)C2=O- InChIKey
SNBLBYTUNQVQIB-UHFFFAOYSA-N- Molecular formula
- C11H9NO5
- Average molar mass
- 235.19 g/mol
- Monoisotopic mass
- 235.04807239
Names & identifiers
- Preferred name
- 2-(2-Hydroxyethyl)-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylic acid
- IUPAC
- 2-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxylic acid
- English name
- 2-(2-Hydroxy-ethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
- Molecular formula
- C11H9NO5
- Molecular weight
- 235.19
Names & synonyms
17329-32-72-(2-Hydroxyethyl)-1,3-dioxoisoindoline-5-carboxylic acid2-(2-hydroxyethyl)-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylic acid2-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxylic acid2-(2-Hydroxy-ethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid2-(2-hydroxyethyl)-1,3-dioxobenzo[c]azoline-5-carboxylic acidN-(2-Hydroxyethyl)trimellitimideSNBLBYTUNQVQIB-UHFFFAOYSA-NMFCD00436736Cambridge id 5233381Oprea1_298717Oprea1_325929
Show more names
2-(2-hydroxy-ethyl)-1,3-dioxo-1,3-dihydro-isoindole-5-carboxylic acid1H-Isoindole-5-carboxylic acid, 2,3-dihydro-2-(2-hydroxyethyl)-1,3-dioxo-
CHEMBL3891014SCHEMBL10632178DTXSID20353580SBB027531AKOS000300797SB64841CS-0333876ST50272061
Database identifiers
- CAS
17329-32-7- PubChem CID
- 745574
- DTXSID
DTXSID20353580- ChEMBL
CHEMBL3891014- Nikkaji
- J26.018E
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Melting point
- 197 °C · 197 °C
- Boiling point
- 507.3 · 507.3±35.0 °C(Predicted)
- Density
- 1.565 · 1.565±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.34 · 3.34±0.20(Predicted)
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- HazardClass
- IRRITANT
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
- risk_code
- 25
- hazard_code
- Xi,T
- safety_code
- 45
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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