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42017-88-9 molecular structure
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2-(4-acetylphenoxy)acetamide

ChemBase ID: 27582
Molecular Formular: C10H11NO3
Molecular Mass: 193.19924
Monoisotopic Mass: 193.07389322
SMILES and InChIs

SMILES:
C(=O)(COc1ccc(C(=O)C)cc1)N
Canonical SMILES:
NC(=O)COc1ccc(cc1)C(=O)C
InChI:
InChI=1S/C10H11NO3/c1-7(12)8-2-4-9(5-3-8)14-6-10(11)13/h2-5H,6H2,1H3,(H2,11,13)
InChIKey:
WNPYFCWDYCFXJA-UHFFFAOYSA-N

Cite this record

CBID:27582 http://www.chembase.cn/molecule-27582.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-acetylphenoxy)acetamide
IUPAC Traditional name
2-(4-acetylphenoxy)acetamide
Synonyms
2-(4-Acetylphenoxy)acetamide
CAS Number
42017-88-9
MDL Number
MFCD01922552
PubChem SID
160990889
PubChem CID
778090

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 778090 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.1321535  H Acceptors
H Donor LogD (pH = 5.5) 0.044262763 
LogD (pH = 7.4) 0.04426277  Log P 0.044262763 
Molar Refractivity 50.8308 cm3 Polarizability 19.651922 Å3
Polar Surface Area 69.39 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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