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6788-84-7 molecular structure
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1,2-dioxetane

ChemBase ID: 125108
Molecular Formular: C2H4O2
Molecular Mass: 60.05196
Monoisotopic Mass: 60.02112937
SMILES and InChIs

SMILES:
O1OCC1
Canonical SMILES:
C1COO1
InChI:
InChI=1S/C2H4O2/c1-2-4-3-1/h1-2H2
InChIKey:
BVTJGGGYKAMDBN-UHFFFAOYSA-N

Cite this record

CBID:125108 http://www.chembase.cn/molecule-125108.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dioxetane
IUPAC Traditional name
1,2-dioxetane
Synonyms
1,2-Dioxacyclobutane
1,2-Dioxetane
CAS Number
6788-84-7
PubChem SID
162219458
PubChem CID
122029
Chemspider ID
108850
Wikipedia Title
1,2-Dioxetane

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.13719408  LogD (pH = 7.4) 0.13719408 
Log P 0.13719408  Molar Refractivity 12.1248 cm3
Polarizability 5.158472 Å3 Polar Surface Area 18.46 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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