Basic information
- CAS
23580-33-8- Standard SMILES
C=C(CC)C(=O)c1cc2cc(C(=O)O)oc2cc1C- InChIKey
DLTWLXUYSLIIQN-UHFFFAOYSA-N- Molecular formula
- C15H14O4
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.08920892
Overview
Furacrinic acid is a small molecule drug. Furacrinic acid has a monoisotopic molecular weight of 258.09 Da.
Names & identifiers
- Preferred name
- Furacrinic Acid
- IUPAC
- 6-methyl-5-(2-methylidenebutanoyl)-1-benzofuran-2-carboxylic acid
- English name
- Furacrinic
- Molecular formula
- C15H14O4
- Molecular weight
- 258.27
Names & synonyms
FURACRINIC ACID23580-33-8acido furacrinicoacide furacriniqueUNII-TO15Q907ZSFuracrinic acid [INN:BAN]TO15Q907ZSFURACRINIC ACID [INN]DTXSID401782176-Methyl-5-(2-methylenebutyryl)-2-benzofurancarboxylic acidacidum furacrinicumRefChem:141727
Show more names
GP-48674Furacrinic6-Methyl-5-(2-ethylacryloyl)benzofuran-2-carboxylic acid2-Benzofurancarboxylic acid, 6-methyl-5-(2-methylene-1-oxobutyl)-
DTXCID7010070848-6746-methyl-5-(2-methylidenebutanoyl)-1-benzofuran-2-carboxylic acidCHEMBL2106339SCHEMBL11008170NS00121049Q27290051
Database identifiers
- CAS
23580-33-8- PubChem CID
- 32013
- DTXSID
DTXSID40178217- ChEMBL
CHEMBL2106339- UNII
- TO15Q907ZS
- Nikkaji
- J446.429J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Melting point
- 141 · 141-142 °C(Solv: benzene (71-43-2))
- Boiling point
- 436.8 · 436.8±45.0 °C(Predicted)
- Density
- 1.223 · 1.223±0.06 g/cm3(Predicted)
- pka
- 3.02 · 3.02±0.30(Predicted)
- FDA UNII
- 15 Q907ZS · TO15Q907ZS
Chemistry & industry
Suppliers1 total
Shanghai New Union Textra Import & Export Co., Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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