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24590-06-5 molecular structure
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2-(2-formylphenoxy)acetamide

ChemBase ID: 311796
Molecular Formular: C9H9NO3
Molecular Mass: 179.17266
Monoisotopic Mass: 179.05824315
SMILES and InChIs

SMILES:
C(=O)(COc1c(C=O)cccc1)N
Canonical SMILES:
O=Cc1ccccc1OCC(=O)N
InChI:
InChI=1S/C9H9NO3/c10-9(12)6-13-8-4-2-1-3-7(8)5-11/h1-5H,6H2,(H2,10,12)
InChIKey:
JSODEWAZLVCBBV-UHFFFAOYSA-N

Cite this record

CBID:311796 http://www.chembase.cn/molecule-311796.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-formylphenoxy)acetamide
IUPAC Traditional name
2-(2-formylphenoxy)acetamide
Synonyms
2-(2-formylphenoxy)acetamide
CAS Number
24590-06-5
MDL Number
MFCD02257374

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.19911759  LogD (pH = 7.4) 0.1991176 
Log P 0.19911759  Molar Refractivity 47.012 cm3
Polarizability 17.823137 Å3 Polar Surface Area 69.39 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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