Basic information
- CAS
5286-29-3- Standard SMILES
Cc1cccc(N2C(=O)c3ccc(C(=O)OC(C)C)cc3C2=O)c1- InChIKey
CCWAQFVFBUEMMG-UHFFFAOYSA-N- Molecular formula
- C19H17NO4
- Average molar mass
- 323.3 g/mol
- Monoisotopic mass
- 323.11575802
Names & identifiers
- Preferred name
- Isopropyl 2-(3-methylphenyl)-1,3-dioxoisoindoline-5-carboxylate
- IUPAC
- propan-2-yl 2-(3-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
Names & synonyms
isopropyl 2-(3-methylphenyl)-1,3-dioxoisoindoline-5-carboxylateIsopropyl 1,3-dioxo-2-(m-tolyl)isoindoline-5-carboxylatepropan-2-yl 2-(3-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylatepropan-2-yl 2-(3-methylphenyl)-1,3-dioxoisoindole-5-carboxylateOprea1_213117Oprea1_359774DTXSID00967326STK247282AKOS000736499EU-0034337ST50222498AB00079306-01
Show more names
AK-918/09123019SR-01000396679SR-01000396679-1methylethyl 2-(3-methylphenyl)-1,3-dioxobenzo[c]azoline-5-carboxylate
Database identifiers
- CAS
5286-29-3- PubChem CID
- 754688
- DTXSID
DTXSID00967326
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 529
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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