3-{5-[(Hydroxyimino)methyl]furan-2-yl}benzoic acid
Basic information
- CAS
5278-70-6- Standard SMILES
O=C(O)c1cccc(-c2ccc(C=NO)o2)c1- InChIKey
IAJYPBLDDSFVDH-UHFFFAOYSA-N- Molecular formula
- C12H9NO4
- Average molar mass
- 231.2 g/mol
- Monoisotopic mass
- 231.05315777
Names & identifiers
- Preferred name
- 3-{5-[(Hydroxyimino)methyl]furan-2-yl}benzoic acid
- IUPAC
- 3-[5-(hydroxyiminomethyl)furan-2-yl]benzoic acid
Names & synonyms
5278-70-6Oprea1_1959223-{5-[(Hydroxyimino)methyl]furan-2-yl}benzoic acidDTXSID50359136
Database identifiers
- CAS
5278-70-6- PubChem CID
- 943579
- DTXSID
DTXSID50359136
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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