Basic information
- CAS
35897-51-9- Standard SMILES
O=C(O)c1ccc(C(=O)c2ccccc2)o1- InChIKey
BQGFSTMQCIGZFC-UHFFFAOYSA-N- Molecular formula
- C12H8O4
- Average molar mass
- 216.19 g/mol
- Monoisotopic mass
- 216.04225874
Names & identifiers
- Preferred name
- 5-Benzoylfuran-2-carboxylic acid
- IUPAC
- 5-benzoylfuran-2-carboxylic acid
Names & synonyms
5-benzoylfuran-2-carboxylic acid35897-51-9DTXSID10386963RefChem:301287DTXCID603379855-Benzoyl-furan-2-carboxylic acidCBMicro_0378355-benzoyl-2-furoic acidCambridge id 5932064Oprea1_609535SCHEMBL28520695-benzoylfuran-2-carboxylicacid
Show more names
BQGFSTMQCIGZFC-UHFFFAOYSA-NAKOS001714124SB61771DA-37971BIM-0037932.P001AB00101225-01AG-205/11957985SR-01000515336
Database identifiers
- CAS
35897-51-9- PubChem CID
- 2877255
- DTXSID
DTXSID10386963
Properties
Computed structural properties
- XLogP
- 2.5
- 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
- 281
Related reactions
6 records
Compound notes
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