Propanedioic acid, [(1-oxo-1H-isoindol-3-yl)oxy]-, dimethyl ester
Basic information
- CAS
847847-38-5- Standard SMILES
COC(=O)C(OC1=NC(=O)c2ccccc21)C(=O)OC- InChIKey
MTGFMLMHMQCCDB-UHFFFAOYSA-N- Molecular formula
- C13H11NO6
- Average molar mass
- 277.23 g/mol
- Monoisotopic mass
- 277.05863707
Names & identifiers
- Preferred name
- Propanedioic acid, [(1-oxo-1H-isoindol-3-yl)oxy]-, dimethyl ester
- IUPAC
- dimethyl 2-(3-oxoisoindol-1-yl)oxypropanedioate
Names & synonyms
847847-38-5Propanedioic acid, [(1-oxo-1H-isoindol-3-yl)oxy]-, dimethyl esterDTXSID10404636Dimethyl [(1-oxo-1H-isoindol-3-yl)oxy]propanedioate
Database identifiers
- CAS
847847-38-5- PubChem CID
- 4590692
- DTXSID
DTXSID10404636- Nikkaji
- J2.389.551J
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 442
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Compound notes
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