Basic information
- CAS
107692-59-1- Standard SMILES
O=C(COC(=O)c1ccco1)c1ccccc1- InChIKey
LQIHFTAJSUTWLW-UHFFFAOYSA-N- Molecular formula
- C13H10O4
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.0579088
Names & identifiers
- Preferred name
- Furan-2-carboxylic acid 2-oxo-2-phenyl-ethyl ester
- IUPAC
- phenacyl furan-2-carboxylate
Names & synonyms
107692-59-12-Oxo-2-phenylethyl 2-furancarboxylate2-OXO-2-PHENYLETHYL FURAN-2-CARBOXYLATEphenacyl furan-2-carboxylateFuran-2-carboxylic acid 2-oxo-2-phenyl-ethyl esterMLS001215538SCHEMBL77010332-oxo-2-phenylethyl 2-furoateCHEMBL1700378DTXSID901283478HMS2912M22AKOS000520396
Show more names
SMR000608220EU-0067431ST50005769SR-01000393609SR-01000393609-1BRD-K33012237-001-07-1
Database identifiers
- CAS
107692-59-1- PubChem CID
- 765658
- DTXSID
DTXSID901283478- ChEMBL
CHEMBL1700378
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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