Benzoic acid, 2-(2-furanylcarbonyl)-
Basic information
- CAS
57901-54-9- Standard SMILES
O=C(O)c1ccccc1C(=O)c1ccco1- InChIKey
LOQBQVAJOUMEIG-UHFFFAOYSA-N- Molecular formula
- C12H8O4
- Average molar mass
- 216.19 g/mol
- Monoisotopic mass
- 216.04225873
Names & identifiers
- Preferred name
- Benzoic acid, 2-(2-furanylcarbonyl)-
- IUPAC
- 2-(furan-2-carbonyl)benzoic acid
Names & synonyms
57901-54-9Benzoic acid, 2-(2-furanylcarbonyl)-DTXSID40326837RefChem:326753DTXCID802779502-(furan-2-carbonyl)benzoic acid2-(2-Furoyl)benzoic acidMFCD07782795NSC618208o-(2-furoyl) benzoic acidSCHEMBL3857975CHEMBL1977894
Show more names
2-(furan-2-carbonyl)benzoicacidLOQBQVAJOUMEIG-UHFFFAOYSA-NNSC-618208NCI60_005465F393853
Database identifiers
- CAS
57901-54-9- PubChem CID
- 358265
- DTXSID
DTXSID40326837- ChEMBL
CHEMBL1977894
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 287
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Related reactions
2 records
Compound notes
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