Basic information
- CAS
20055-18-9- Standard SMILES
O=C(Oc1ccco1)c1ccccc1- InChIKey
HMUXGYCCWIHXMK-UHFFFAOYSA-N- Molecular formula
- C11H8O3
- Average molar mass
- 188.18 g/mol
- Monoisotopic mass
- 188.04734411
Names & identifiers
- Preferred name
- Furan-2-yl benzoate
- IUPAC
- furan-2-yl benzoate
- English name
- 2-Furyl benzoate
- Molecular formula
- C8H6N2O
- Molecular weight
- 146.15
Names & synonyms
furan-2-yl benzoate2-furyl benzoate2-Furanol, benzoatebenzoic acid furan-2-yl esterfuranyl benzoateSCHEMBL7795474SCHEMBL7804040SCHEMBL27473565DTXSID70416058ALBB-016364STL163889AKOS005716416
Show more names
1(4H)-Phthalazinonebenzoic acid 2-furyl ester
CS-0336566InChI=1/C11H8O3/c12-11(9-5-2-1-3-6-9)14-10-7-4-8-13-10/h1-8
Database identifiers
- CAS
20055-18-9- PubChem CID
- 5325846
- DTXSID
DTXSID70416058- Nikkaji
- J987.820C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 277.2 · 277.2±43.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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