Basic information
- CAS
5472-64-0- Standard SMILES
COC(=O)CCc1ccc(C(=O)CN2C(=O)c3ccccc3C2=O)cc1- InChIKey
MRAMABMQCAGVPP-UHFFFAOYSA-N- Molecular formula
- C20H17NO5
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.11067264
Names & identifiers
- Preferred name
- Methyl 3-{4-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]phenyl}propanoate
- IUPAC
- methyl 3-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]propanoate
Names & synonyms
5472-64-0methyl 3-{4-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]phenyl}propanoateNSC29435DTXSID50283043NSC-29435
Database identifiers
- CAS
5472-64-0- PubChem CID
- 232186
- DTXSID
DTXSID50283043
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 555
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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