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157-26-6 molecular structure
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dioxirane

ChemBase ID: 127121
Molecular Formular: CH2O2
Molecular Mass: 46.02538
Monoisotopic Mass: 46.0054793
SMILES and InChIs

SMILES:
C1OO1
Canonical SMILES:
O1OC1
InChI:
InChI=1S/CH2O2/c1-2-3-1/h1H2
InChIKey:
ASQQEOXYFGEFKQ-UHFFFAOYSA-N

Cite this record

CBID:127121 http://www.chembase.cn/molecule-127121.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dioxirane
IUPAC Traditional name
dioxirane
Synonyms
Dioxirane
CAS Number
157-26-6
PubChem SID
162221444
PubChem CID
449520
Chemspider ID
396025
Wikipedia Title
Dioxirane

DATA SOURCES

DATA SOURCES

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.088047  H Acceptors
H Donor LogD (pH = 5.5) 0.24729502 
LogD (pH = 7.4) 0.24729495  Log P 0.24729504 
Molar Refractivity 6.9343 cm3 Polarizability 3.3780007 Å3
Polar Surface Area 21.76 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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INTERNET

INTERNET

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