Basic information
- Standard SMILES
O=C1c2ccccc2CN1CCO- InChIKey
KXEOGXOYZNOFIE-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 2-(2-hydroxyethyl)-3H-isoindol-1-one
- IUPAC
- 2-(2-hydroxyethyl)-3H-isoindol-1-one
- English name
- 2,3-dihydro-2-(2-hydroxyethyl)-1H-Isoindol-1-one
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
5334-06-52-(2-hydroxyethyl)-3H-isoindol-1-oneDTXSID70277449RefChem:250742DTXCID602286071H-Isoindol-1-one, 2,3-dihydro-2-(2-hydroxyethyl)-2-(2-HYDROXYETHYL)ISOINDOLIN-1-ONE2,3-dihydro-2-(2-hydroxyethyl)-1H-Isoindol-1-one2-(2-hydroxyethyl)-2,3-dihydro-1h-isoindol-1-oneNSC2381SCHEMBL1450342SCHEMBL5637049
Show more names
SCHEMBL94668882-(2-hydroxyethyl)isoindolinoneKXEOGXOYZNOFIE-UHFFFAOYSA-NALBB-035627NSC-2381MFCD08436534AKOS006289854DB-087319
Database identifiers
- CAS
5334-06-5- PubChem CID
- 220105
- DTXSID
DTXSID70277449- Nikkaji
- J2.729.188K
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 113 · 113-114 °C
- Boiling point
- 380.5 · 380.5±42.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 14.4 · 14.40±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
6 records
Linked notes
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