Basic information
- Standard SMILES
C[C@H](O)CON1C(=O)c2ccccc2C1=O- InChIKey
YRSCUJZERMIHAJ-ZETCQYMHSA-N- Molecular formula
- C11H11NO4
- Average molar mass
- 221.21 g/mol
Names & identifiers
- Preferred name
- 2-((S)-2-hydroxy-propoxy)-isoindole-1,3-dione
- IUPAC
- 2-[(2S)-2-hydroxypropoxy]isoindole-1,3-dione
Names & synonyms
CMLDBU00003464SCHEMBL2296722YRSCUJZERMIHAJ-ZETCQYMHSA-NNCGC00161050-01NCGC00161050-022-((S)-2-hydroxy-propoxy)-isoindole-1,3-dione
Database identifiers
- PubChem CID
- 749927
- Nikkaji
- J1.327.453C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 280
Related reactions
1 records
Compound notes
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