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34523-34-7 molecular structure
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4-[(1E)-1-(hydroxyimino)ethyl]phenol

ChemBase ID: 170078
Molecular Formular: C8H9NO2
Molecular Mass: 151.16256
Monoisotopic Mass: 151.06332853
SMILES and InChIs

SMILES:
c1cc(ccc1/C(=N/O)/C)O
Canonical SMILES:
O/N=C(/c1ccc(cc1)O)\C
InChI:
InChI=1S/C8H9NO2/c1-6(9-11)7-2-4-8(10)5-3-7/h2-5,10-11H,1H3/b9-6+
InChIKey:
BVZSQTRWIYKUSF-RMKNXTFCSA-N

Cite this record

CBID:170078 http://www.chembase.cn/molecule-170078.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[(1E)-1-(hydroxyimino)ethyl]phenol
IUPAC Traditional name
4-[(1E)-1-(hydroxyimino)ethyl]phenol
Synonyms
1-(4-Hydroxyphenyl)ethanone Oxime
1-(4-Hydroxyphenyl)-1-ethanone Oxime
NSC 77904
p-Hydroxyacetophenone Oxime
4'-Hydroxyacetophenone Oxime
CAS Number
34523-34-7
PubChem SID
164225988
PubChem CID
5357461

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC H741050 external link Add to cart
PubChem 5357461 external link
Data Source Data ID Price
TRC
H741050 external link Add to cart Please log in.
Data Source Data ID
PubChem 5357461 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.64439  H Acceptors
H Donor LogD (pH = 5.5) 1.2361181 
LogD (pH = 7.4) 1.2127956  Log P 1.2368078 
Molar Refractivity 42.2634 cm3 Polarizability 16.021101 Å3
Polar Surface Area 52.82 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
White to Off-White Solid expand Show data source
Melting Point
142-144°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - H741050 external link
Paracetamol (Acetaminophen -A161220) impurity.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Jaiswal, A., et al.: J. Agric. Food Chem., 46, 1609 (1998)
  • • Sengupta, S., et al.: Metal. Based Drugs, 8, 293 (1998)
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PATENTS

PATENTS

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INTERNET

INTERNET

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