Home > Compound List > Compound details
2346-26-1 molecular structure
click picture or here to close

1,3-oxazolidine-2,4-dione

ChemBase ID: 128770
Molecular Formular: C3H3NO3
Molecular Mass: 101.06082
Monoisotopic Mass: 101.01129296
SMILES and InChIs

SMILES:
O=C1NC(=O)OC1
Canonical SMILES:
O=C1OCC(=O)N1
InChI:
InChI=1S/C3H3NO3/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
InChIKey:
COWNFYYYZFRNOY-UHFFFAOYSA-N

Cite this record

CBID:128770 http://www.chembase.cn/molecule-128770.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-oxazolidine-2,4-dione
IUPAC Traditional name
oxazolidinedione
Synonyms
2,4-Oxazolidenedione
Oxazolidinedione
2,4-oxazolidinedione
CAS Number
2346-26-1
PubChem SID
162223074
PubChem CID
97389
Chemspider ID
87905
Wikipedia Title
Oxazolidinedione

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
A&J Pharmtech
AJA-O12896 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.379476  H Acceptors
H Donor LogD (pH = 5.5) -0.77424735 
LogD (pH = 7.4) -1.7321151  Log P -0.72105986 
Molar Refractivity 19.0963 cm3 Polarizability 7.7447042 Å3
Polar Surface Area 55.4 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Boiling Point
89-90 °C expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle