Basic information
- CAS
777-50-4- Standard SMILES
CCOC(=O)c1ccc(NC(C)=O)o1- InChIKey
BUSDCUNLRGSIRI-UHFFFAOYSA-N- Molecular formula
- C9H11NO4
- Average molar mass
- 197.19 g/mol
- Monoisotopic mass
- 197.06880783
Names & identifiers
- Preferred name
- Ethyl 5-acetamido-2-furoate
- IUPAC
- ethyl 5-acetamidofuran-2-carboxylate
- English name
- 2-Furancarboxylic acid, 5-(acetylamino)-, ethyl ester
- Molecular formula
- C9H11NO4
- Molecular weight
- 197.19
Names & synonyms
ethyl 5-acetamidofuran-2-carboxylateethyl 5-acetamido-2-furoate777-50-4ethyl 5-(acetylamino)furan-2-carboxylate2-Furancarboxylic acid, 5-(acetylamino)-, ethyl esterNSC 402554MWW86BZ58F2-Furoic acid, 5-acetamido-, ethyl esterNSC-402554NSC402554UNII-MWW86BZ58FDTXSID40228327
Show more names
5-ACETYLAMINO-FURAN-2-CARBOXYLIC ACID ETHYL ESTER
ethyl 5-(acetylamino)-2-furoateethyl5-acetamidofuran-2-carboxylateBBL001146MFCD00464230STK366589AKOS005443201NCGC00338250-01VS-00826
Database identifiers
- CAS
777-50-4- PubChem CID
- 101243
- DTXSID
DTXSID40228327- UNII
- MWW86BZ58F
- Nikkaji
- J1.415.076E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 174 °C · 174 °C
- Boiling point
- 390.6 · 390.6±27.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- pka
- 14.1 · 14.10±0.70(Predicted)
- FDA UNII
- 86 BZ58F · MWW86BZ58F
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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