Basic information
- CAS
58337-16-9- Standard SMILES
CCOC(=O)C1=C(Nc2ccccc2)OCC1=O- InChIKey
ODJBFSHHCNDWOS-UHFFFAOYSA-N- Molecular formula
- C13H13NO4
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.0844579
Names & identifiers
- Preferred name
- Ethyl 2-anilino-4-oxo-4,5-dihydrofuran-3-carboxylate
- IUPAC
- ethyl 2-anilino-4-oxofuran-3-carboxylate
- English name
- Ethyl 2-anilino-4-oxo-4,5-dihydro-3-furancarboxylate
- Molecular formula
- C13H13NO4
- Molecular weight
- 247.25
Names & synonyms
58337-16-9Ethyl 2-anilino-4-oxo-4,5-dihydrofuran-3-carboxylateDTXSID60351368RefChem:342659DTXCID40302434ethyl 2-anilino-4-oxo-4,5-dihydro-3-furancarboxylateethyl 4-oxo-2-(phenylamino)-4,5-dihydrofuran-3-carboxylateethyl 2-anilino-4-oxofuran-3-carboxylateMFCD00128484ethyl 4-oxo-2-(phenylamino)-5-hydrofuran-3-carboxylateTimTec1_001538MLS000058842
Show more names
BUTTPARK 83\07-49ETHYL 5-OXO-2-(PHENYLAMINO)-3-OXOLENECARBOXYLATE2-anilino-4-oxo-3-furancarboxylic acid ethyl ester3-Furancarboxylic acid, 4,5-dihydro-4-oxo-2-(phenylamino)-, ethyl ester
CHEMBL1323231SCHEMBL10527500ODJBFSHHCNDWOS-UHFFFAOYSA-NHMS1538F20HMS2392I16ICA33716CCG-19845SBB100247
Database identifiers
- CAS
58337-16-9- PubChem CID
- 698491
- DTXSID
DTXSID60351368
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Melting point
- 118 · 118-120°C
- Boiling point
- 377.245 · 377.245±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.339 · 1.339±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.465 · -2.465±0.20(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Related reactions
1 records
Compound notes
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