4-(5-Formylfuran-2-yl)-2-hydroxybenzoic acid
Basic information
- CAS
436088-45-8- Standard SMILES
O=Cc1ccc(-c2ccc(C(=O)O)c(O)c2)o1- InChIKey
BKNVVYRQMKQLFC-UHFFFAOYSA-N- Molecular formula
- C12H8O5
- Average molar mass
- 232.19 g/mol
- Monoisotopic mass
- 232.03717335
Names & identifiers
- Preferred name
- 4-(5-Formylfuran-2-yl)-2-hydroxybenzoic acid
- IUPAC
- 4-(5-formylfuran-2-yl)-2-hydroxybenzoic acid
Names & synonyms
436088-45-84-(5-formylfuran-2-yl)-2-hydroxybenzoic acid4-(5-Formyl-furan-2-yl)-2-hydroxy-benzoic acidCHEMBL4244395MFCD02738007A826354Oprea1_248837Oprea1_721645SCHEMBL1435328BKNVVYRQMKQLFC-UHFFFAOYSA-NBDBM50463041GS4096
Show more names
AKOS000543286SB61564SY2111094-(5-formyl-2-furanyl)-2-hydroxybenzoateDB-051126ST502718964-(5-Formyl-2-furyl)-2-hydroxybenzoic Acid4-(5-formyl(2-furyl))-2-hydroxybenzoic acid
Database identifiers
- CAS
436088-45-8- PubChem CID
- 832218
- ChEMBL
CHEMBL4244395
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…