2-(2-Ethoxyethyl)-3-oxoisoindoline-4-carboxylic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
1048916-58-0- Standard SMILES
CCOCCN1Cc2cccc(C(=O)O)c2C1=O- InChIKey
UZXNAGHXXUULRB-UHFFFAOYSA-N- Molecular formula
- C13H15NO4
- Average molar mass
- 249.26 g/mol
Names & identifiers
- Preferred name
- 2-(2-Ethoxyethyl)-3-oxoisoindoline-4-carboxylic acid
- IUPAC
- 2-(2-ethoxyethyl)-3-oxo-1H-isoindole-4-carboxylic acid
- English name
- 2-(2-Ethoxy-ethyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
- Molecular formula
- C13H15NO4
- Molecular weight
- 249.26
Names & synonyms
1048916-58-02-(2-Ethoxyethyl)-3-oxoisoindoline-4-carboxylic acid2-(2-ethoxyethyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acidAKOS0159966702-(2-Ethoxyethyl)-3-oxoisoindoline-4-carboxylicacid2-(2-ethoxyethyl)-3-oxo-1H-isoindole-4-carboxylic acid2-(2-ethoxyethyl)-3-oxo-isoindoline-4-carboxylic acid2-(2-Ethoxy-ethyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
Database identifiers
- CAS
1048916-58-0
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- form
- solid
- InChI
- 1S/C13H15NO4/c1-2-18-7-6-14-8-9-4-3-5-10(13(16)17)11(9)12(14)15/h3-5H,2,6-8H2,1H3,(H,16,17)
- InChIKey
- UZXNAGHXXUULRB-UHFFFAOYSA-N
- SMILES
- O=C(O)C1=CC=CC2=C1C(N(CCOCC)C2)=O
- UNSPSC Code
- 12352106 · 12352106
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P332+P313-P337+P313-P362+P364
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2
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
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P280-P332+P313-P337+P313-P362+P364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…