Record Information
Version1.0
Creation date2010-04-08 22:11:04 UTC
Update date2018-05-29 01:09:35 UTC
Primary IDFDB014085
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameOzone
DescriptionAntimicrobial agent used in the production of bottled waterand is) also used in the treatment of meat, poultry and other foodstuffs
CAS Number10028-15-6
Structure
Thumb
Synonyms
SynonymSource
Oxygen, mol (O3)HMDB
OZONHMDB
Ozone heavy workHMDB
Ozone heavy, moderate, or light workloads (<2 hours)HMDB
Ozone light workHMDB
Ozone moderate workHMDB
Ozone, 11ciHMDB
OzonoHMDB
Triatomic oxygenHMDB
Trioxid-2-en-2-ium-1-ideHMDB
TrioxygenHMDB
TrioxygeneHMDB
Ozonebiospider
Ozone, 11CIdb_source
trioxid-2-en-2-ium-1-idebiospider
Predicted Properties
PropertyValueSource
logP0.45ChemAxon
pKa (Strongest Basic)-6.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area34.29 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity4.05 m³·mol⁻¹ChemAxon
Polarizability2.22 ųChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaO3
IUPAC nametrioxirane
InChI IdentifierInChI=1S/O3/c1-2-3-1
InChI KeyXQOAKYYZMDCSIA-UHFFFAOYSA-N
Isomeric SMILESO1OO1
Average Molecular Weight47.9982
Monoisotopic Molecular Weight47.984743866
Classification
Description belongs to the class of inorganic compounds known as other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassOther non-metal organides
Sub ClassOther non-metal oxides
Direct ParentOther non-metal oxides
Alternative ParentsNot Available
SubstituentsNot Available
Molecular FrameworkNot Available
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionO 100.00%DFC
Melting PointMp -251°DFC
Boiling PointBp -112.3°DFC
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
Densityd-183 1.78DFC
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
ChemSpider ID13375217
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID16206854
Pubchem Substance IDNot Available
ChEBI ID25812
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB35409
CRC / DFC (Dictionary of Food Compounds) IDHVF08-U:JNS00-R
EAFUS ID2857
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference