Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate
Basic information
- CAS
40531-88-2- Standard SMILES
CCCOC(=O)CN1C(=O)c2ccccc2C1=O- InChIKey
GOGCRSPYAVSORZ-UHFFFAOYSA-N- Molecular formula
- C13H13NO4
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.0844579
Names & identifiers
- Preferred name
- Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate
- IUPAC
- propyl 2-(1,3-dioxoisoindol-2-yl)acetate
Names & synonyms
Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate40531-88-2(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid propyl esterpropyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetatepropyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetateSMR000008913Oprea1_319860Oprea1_450845MLS000068254CHEMBL1539798HMS2169B15HMS3319E05
Show more names
STK267875AKOS000741122ST50229762propyl 2-(1,3-dioxobenzo[c]azolin-2-yl)acetateAG-690/10800005SR-01000494004SR-01000494004-1
Database identifiers
- CAS
40531-88-2- PubChem CID
- 648307
- ChEMBL
CHEMBL1539798- EC Number
- 118-511-3
- Nikkaji
- J1.094.903C
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 342
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
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Related reactions
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Compound notes
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