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14699-99-1 molecular structure
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trioxidane

ChemBase ID: 130023
Molecular Formular: H2O3
Molecular Mass: 50.01408
Monoisotopic Mass: 50.00039392
SMILES and InChIs

SMILES:
OOO
Canonical SMILES:
OOO
InChI:
InChI=1S/H2O3/c1-3-2/h1-2H
InChIKey:
JSPLKZUTYZBBKA-UHFFFAOYSA-N

Cite this record

CBID:130023 http://www.chembase.cn/molecule-130023.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trioxidane
IUPAC Traditional name
hoooh
Synonyms
Dihydrogen trioxide
Hydrogen trioxide
Water-Air
Trioxidane
CAS Number
14699-99-1
PubChem SID
162224308
PubChem CID
166717
CHEBI ID
46736
Chemspider ID
145859
Gmelin ID
200290
Wikipedia Title
Trioxidane

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.088651  H Acceptors
H Donor LogD (pH = 5.5) -0.3071083 
LogD (pH = 7.4) -0.77640444  Log P -0.29609948 
Molar Refractivity 6.4794 cm3 Polarizability 3.0028806 Å3
Polar Surface Area 49.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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