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4,4'-Dihydroxybenzanilide

HCID 950480
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
22744-42-9
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

Experimental & physicochemical properties

LogP1.5

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)

Related reactions

21 records
New reaction record
HRID 22454 reaction equation
HRID 22454As productuspto-grants-1995_06
HRID 202755 reaction equation
HRID 202755As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 258371 reaction equation
HRID 258371As productuspto-grants-1993_11
HRID 258372 reaction equation
HRID 258372As reactantuspto-grants-1993_11
HRID 274953 reaction equation
HRID 274953As productuspto-grants-1995_02
HRID 326892 reaction equation
HRID 326892As productuspto-grants-1993_12
HRID 326893 reaction equation
HRID 326893As reactantuspto-grants-1993_12
HRID 326896 reaction equation
HRID 326896As productuspto-grants-1993_12
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Compound notes

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