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27770-23-6 molecular structure
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5-methyl-1,3-oxazolidine-2,4-dione

ChemBase ID: 810722
Molecular Formular: C4H5NO3
Molecular Mass: 115.0874
Monoisotopic Mass: 115.02694303
SMILES and InChIs

SMILES:
O1C(=O)NC(=O)C1C
Canonical SMILES:
O=C1OC(C(=O)N1)C
InChI:
InChI=1S/C4H5NO3/c1-2-3(6)5-4(7)8-2/h2H,1H3,(H,5,6,7)
InChIKey:
ZBBUWSWHUXAKGA-UHFFFAOYSA-N

Cite this record

CBID:810722 http://www.chembase.cn/molecule-810722.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methyl-1,3-oxazolidine-2,4-dione
IUPAC Traditional name
5-methyl-1,3-oxazolidine-2,4-dione
Synonyms
5-METHYL-2,4-OXAZOLIDINEDIONE
CAS Number
27770-23-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29521 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29521 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.6422353  H Acceptors
H Donor LogD (pH = 5.5) -0.18216272 
LogD (pH = 7.4) -0.9525218  Log P -0.15229562 
Molar Refractivity 23.5902 cm3 Polarizability 9.529729 Å3
Polar Surface Area 55.4 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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