Basic information
- Standard SMILES
O=C(Nc1ccc(O)cc1)c1ccc(O)cc1- InChIKey
WCTPJCYSFNTVKJ-UHFFFAOYSA-N- Molecular formula
- C13H11NO3
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.07389321
Names & identifiers
- Preferred name
- 4,4'-Dihydroxybenzanilide
- IUPAC
- 4-hydroxy-N-(4-hydroxyphenyl)benzamide
- English name
- 4-hydroxy-N-(4-hydroxyphenyl)benzamide
- Molecular formula
- C13H11NO3
- Molecular weight
- 229.23
Names & synonyms
4,4'-dihydroxybenzanilide22744-42-9DTXSID20359188RefChem:284602DTXCID503102424-hydroxy-N-(4-hydroxyphenyl)benzamideBenzamide, 4-hydroxy-N-(4-hydroxyphenyl)-Oprea1_053575SCHEMBL899585CHEMBL333685WCTPJCYSFNTVKJ-UHFFFAOYSA-NSTK371407
Show more names
AKOS0036274344-hydroxy-N-(4-hydroxyphenyl)-benzamideST50904507(4-hydroxyphenyl)-N-(4-hydroxyphenyl)carboxamide
Database identifiers
- CAS
22744-42-9- PubChem CID
- 950480
- DTXSID
DTXSID20359188- ChEMBL
CHEMBL333685- Nikkaji
- J1.745.796I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Melting point
- 256 · 256-258 °C (decomp)
- Boiling point
- 373 · 373.0±27.0 °C(Predicted)
- Density
- 1.387 · 1.387±0.06 g/cm3(Predicted)
- pka
- 8.42 · 8.42±0.15(Predicted)
Chemistry & industry
Suppliers2 total
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
21 records
Linked notes
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