2H-Naphtho[1,8-bc]furan-2-one
Basic information
- CAS
5247-85-8- Standard SMILES
O=C1Oc2cccc3cccc1c23- InChIKey
QGYVYNJHKNNLFL-UHFFFAOYSA-N- Molecular formula
- C11H6O2
- Average molar mass
- 170.16 g/mol
- Monoisotopic mass
- 170.03677943
Names & identifiers
- Preferred name
- 2H-Naphtho[1,8-bc]furan-2-one
- IUPAC
- 2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one
- English name
- 2H-naphtho[1,8-bc]furan-2-one
- Molecular formula
- C11H6O2
- Molecular weight
- 170.16
Names & synonyms
2H-Naphtho[1,8-bc]furan-2-one5247-85-82H-Naphtho(1,8-bc)furan-2-oneEINECS 226-050-5DTXSID40200461(1H,2H)1-Oxaacenaphthylene-2-oneRefChem:90122DTXCID40122952226-050-5QGYVYNJHKNNLFL-UHFFFAOYSA-N1,8-naphtholactoneMFCD00204994
Show more names
Naphtholactone8-Hydroxy-1-naphthoic acid lactone8-Hydroxy-1-naphthoic acid 1,8-lactone]dodeca-1(11),4(12),5,7,9-pentaen-3-one8-Hydroxynaphthalene-1-carboxylic acid lactone8-Hydroxy-1-naphthalenecarboxylic acid lactone8-Hydroxy-1-naphthalenecarboxylic acid 1,8-lactoneNaphtholactone 2H-naphtho[1,8-bc]furan-2-one
2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-oneCHEMBL23233632-Oxatricyclo[6.3.1.0,4,12]dodeca-1(12),4,6,8,10-pentaen-3-oneRMP9G8FBJ8SCHEMBL2357562ALBB-035594BDBM50426852EBC-06321
Database identifiers
- CAS
5247-85-8- PubChem CID
- 78907
- DTXSID
DTXSID40200461- ChEMBL
CHEMBL2323363- UNII
- RMP9G8FBJ8
- EC Number
- 226-050-5
- Nikkaji
- J53.042E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Melting point
- 105 · 105-107℃
- Boiling point
- 325.6 · 325.6±9.0 °C(Predicted)
- Density
- 1.389 · 1.389±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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