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614-80-2 molecular structure
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N-(2-hydroxyphenyl)ethanimidic acid

ChemBase ID: 104079
Molecular Formular: C8H9NO2
Molecular Mass: 151.16256
Monoisotopic Mass: 151.06332853
SMILES and InChIs

SMILES:
C/C(=N/c1ccccc1O)/O
Canonical SMILES:
C/C(=N/c1ccccc1O)/O
InChI:
InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)
InChIKey:
ADVGKWPZRIDURE-UHFFFAOYSA-N

Cite this record

CBID:104079 http://www.chembase.cn/molecule-104079.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-hydroxyphenyl)ethanimidic acid
IUPAC Traditional name
N-(2-hydroxyphenyl)ethanimidic acid
Synonyms
2-Hydroxyacetanilide
2-ACETAMIDOPHENOL
CAS Number
614-80-2
EC Number
210-396-9
PubChem SID
162092425
PubChem CID
11972

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02154676 external link Add to cart Please log in.
Data Source Data ID
PubChem 11972 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.0544863  H Acceptors
H Donor LogD (pH = 5.5) 2.272907 
LogD (pH = 7.4) 1.7760359  Log P 2.2848475 
Molar Refractivity 43.657 cm3 Polarizability 15.765738 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)
Melting Point
207-210°C expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02154676 external link
(2-Hydroxyacetanilide) Tan powder

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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