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1432-43-5 molecular structure
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3-acetyl-1,3-oxazolidin-2-one

ChemBase ID: 149841
Molecular Formular: C5H7NO3
Molecular Mass: 129.11398
Monoisotopic Mass: 129.04259309
SMILES and InChIs

SMILES:
CC(=O)N1CCOC1=O
Canonical SMILES:
CC(=O)N1CCOC1=O
InChI:
InChI=1S/C5H7NO3/c1-4(7)6-2-3-9-5(6)8/h2-3H2,1H3
InChIKey:
COCHMAAUXSQMED-UHFFFAOYSA-N

Cite this record

CBID:149841 http://www.chembase.cn/molecule-149841.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-acetyl-1,3-oxazolidin-2-one
IUPAC Traditional name
3-acetyl-1,3-oxazolidin-2-one
Synonyms
3-Acetyl-2-oxazolidinone
3-acetyl-2-oxazolidinone
3-乙酰-2-噁唑烷酮
CAS Number
1432-43-5
MDL Number
MFCD00068820
PubChem SID
162244003
24861581
PubChem CID
538766

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 538766 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.37023777  LogD (pH = 7.4) -0.37023777 
Log P -0.37023777  Molar Refractivity 28.5831 cm3
Polarizability 11.329346 Å3 Polar Surface Area 46.61 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
69-71 °C(lit.) expand Show data source
Boiling Point
110-114 °C/2 mmHg(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Purity
98% expand Show data source
99% expand Show data source
Empirical Formula (Hill Notation)
C5H7NO3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 348511 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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