Basic information
- CAS
61190-46-3- Standard SMILES
ON=C1CCCc2occc21- InChIKey
XLJSELFTFQSTNL-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Names & identifiers
- Preferred name
- (E)-6,7-Dihydrobenzofuran-4(5H)-one oxime
- IUPAC
- N-(6,7-dihydro-5H-1-benzofuran-4-ylidene)hydroxylamine
- English name
- (E)-6,7-Dihydrobenzofuran-4(5H)-one oxime
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
(E)-6,7-DIHYDROBENZOFURAN-4(5H)-ONE OXIMESCHEMBL2588819DTXSID90343751AB44440N-(6,7-Dihydro-1-benzofuran-4(5H)-ylidene)hydroxylamine4(5H)-Benzofuranone, 6,7-dihydro-, oxime
Database identifiers
- CAS
61190-46-3- PubChem CID
- 592005
- DTXSID
DTXSID90343751
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 45.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 298.103 · 298.103±19.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.342 · 1.342±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.279 · 11.279±0.20(predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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