ChEBI


  3  3  0  0  0  0  0  0  0  0  1 V2000
   13.2696   -4.3575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9346   -5.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6046   -5.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <ID>
CHEBI:27561

> <NAME>
oxirane

> <DEFINITION>
A  saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:4900; CHEBI:24001

> <SYNONYM>
Oxyfume; oxyde d'ethylene; Oxidoethane; Oxane; Oxacyclopropane; ETO; Ethylene oxide; ethene oxide; epoxyethane; Dimethylene oxide; Dihydrooxirene; Anproline; Anprolene; Amprolene; Aethylenoxid; 1,2-epoxyethane; 1,2-Epoxyaethan

> <IUPAC_NAME>
oxirane

> <FORMULA>
C2H4O

> <MASS>
44.05256

> <MONOISOTOPIC_MASS>
44.02621

> <CHARGE>
0

> <SMILES>
C1CO1

> <INCHI>
InChI=1S/C2H4O/c1-2-3-1/h1-2H2

> <INCHIKEY>
IAYPIBMASNFSPL-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
102378

> <CAS_REGISTRY_NUMBER>
75-21-8

> <GMELIN_REGISTRY_NUMBER>
676

> <REAXYS_REGISTRY_NUMBER>
102378

> <CHEMIDPLUS>
75-21-8

> <KEGG_COMPOUND_ACCESSION>
C06548

> <KEGG_DRUG_ACCESSION>
D03474

> <NIST_CHEMISTRY_WEBBOOK>
75-21-8

> <WIKIPEDIA_ACCESSION>
Oxirane

> <PUBMED_CITATION>
11437638; 24313866; 24882394; 25005741; 3932500

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