Basic information
- CAS
89651-28-5- Standard SMILES
CN(C)C=C1OC(=O)c2ccccc21- InChIKey
AQPBMBBBVBDTAP-UHFFFAOYSA-N- Molecular formula
- C11H11NO2
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.07897859
Names & identifiers
- Preferred name
- 1(3H)-Isobenzofuranone, 3-[(dimethylamino)methylene]-
- IUPAC
- 3-(dimethylaminomethylidene)-2-benzofuran-1-one
- English name
- 3-[(DIMETHYLAMINO)METHYLENE]-2-BENZOFURAN-1(3H)-ONE
- Molecular formula
- C11H11NO2
- Molecular weight
- 189.21
Names & synonyms
1(3H)-Isobenzofuranone, 3-[(dimethylamino)methylene]-3-(dimethylaminomethylidene)-2-benzofuran-1-one89651-28-5Bionet2_000136DTXSID603951413-(dimethylaminomethylene)isobenzofuran-1-one3-[(Dimethylamino)methylidene]-2-benzofuran-1(3H)-one3-[(DIMETHYLAMINO)METHYLENE]-2-BENZOFURAN-1(3H)-ONE(3Z)-3-[(dimethylamino)methylidene]-1,3-dihydro-2-benzofuran-1-one
Database identifiers
- CAS
89651-28-5- PubChem CID
- 3693962
- DTXSID
DTXSID60395141
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Melting point
- 122 · 122-123 °C
- Boiling point
- 304.2 · 304.2±42.0 °C(Predicted)
- Density
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- pka
- 3.9 · 3.90±0.20(Predicted)
Chemistry & industry
Suppliers5 total
Carbone Scientific CO., LTD[email protected]
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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