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Basic information
- CAS
60653-25-0- Standard SMILES
O=C(O)CC(O)c1ccc(-c2ccc(Cl)cc2)o1- InChIKey
YLJRTDTWWRXOFG-UHFFFAOYSA-N- Molecular formula
- C13H11ClO4
- Average molar mass
- 266.67 g/mol
- Monoisotopic mass
- 266.0345865
Names & identifiers
- Preferred name
- Orpanoxin
- IUPAC
- 3-[5-(4-chlorophenyl)furan-2-yl]-3-hydroxypropanoic acid
- English name
- Orpanoxin
- Molecular formula
- C13H11ClO4
- Molecular weight
- 266.68
Names & synonyms
OrpanoxinOrpanoxine60653-25-0OrpanoxinumF-776Orpanoxina5-(4-Chlorophenyl)-beta-hydroxy-2-furanpropanoic acidGB7E99FI6XDTXSID908668192-Furanpropanoic acid, 5-(4-chlorophenyl)-beta-hydroxy-RefChem:928293DTXCID80815058
Show more names
5-(4-Chlorophenyl)-β-hydroxy-2-furanpropanoic acid2-Furanpropanoic acid, 5-(4-chlorophenyl)-β-hydroxy-
F 7765-(p-Chlorophenyl)-2-furanhydracrylic acidOrpanoxinoOrpanoxin [USAN:INN]Orpanoxine [INN-French]Orpanoxinum [INN-Latin]Orpanoxino [INN-Spanish]3-[5-(4-chlorophenyl)furan-2-yl]-3-hydroxypropanoic acid
Database identifiers
- CAS
60653-25-0- PubChem CID
- 43382
- DTXSID
DTXSID90866819- ChEMBL
CHEMBL2107141- UNII
- GB7E99FI6X
- Nikkaji
- J18.380F
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- FDA UNII
- 7 E99FI6X · GB7E99FI6X
Chemistry & industry
Applications
UsesAnti-inflammatory.
Suppliers1 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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