Basic information
- CAS
13602-48-7- Standard SMILES
O=C(NC1CCOC1=O)c1ccccc1- InChIKey
HUNZJKFFMPFZTC-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.07389321
Names & identifiers
- Preferred name
- N-(Tetrahydro-2-oxo-3-furanyl)benzamide
- IUPAC
- N-(2-oxooxolan-3-yl)benzamide
- English name
- N-(2-Oxotetrahydrofuran-3-yl)benzamide
- Molecular formula
- C11H11NO3
- Molecular weight
- 205.21
Names & synonyms
13602-48-7DTXSID901281327N-(Tetrahydro-2-oxo-3-furanyl)benzamideRefChem:1091479DTXCID501711778n-(2-oxotetrahydrofuran-3-yl)benzamideN-(2-oxooxolan-3-yl)benzamide51685-54-2MLS0026087392-BenzamidobutyrolactoneN-(Tetrahydro-oxo-3-furanyl)benzamideN-(Tetrahydro-2-oxo-3-furyl)benzamide
Show more names
Benzamide, N-(tetrahydro-2-oxo-3-furanyl)-
Benzamide, N-(tetrahydro-oxo-3-furanyl)-2-Benzamido-4-hydroxybutyric acid gamma-lactoneNSC45802N-(2-Oxotetrahydro-3-furanyl)benzamideBenzoylamino-butyrolactonBenzamide, N-(tetrahydro-2-oxo-3-furyl)-CHEMBL3186357SCHEMBL10454044
Database identifiers
- CAS
13602-48-7- PubChem CID
- 97839
- DTXSID
DTXSID901281327- ChEMBL
CHEMBL3186357- Nikkaji
- J570.004C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 259
Experimental & physicochemical properties
LogP0.84
Physicochemical properties
- Melting point
- 134 · 134-136 °C
- Boiling point
- 504 · 504.0±43.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 13.17 · 13.17±0.20(Predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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