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Molecule
ID:125109
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₂O₄
Molecular Mass
88.019
Exact Mass
87.97965848
Charge
0
InChI
InChI=1S/C2O4/c3-1-2(4)6-5-1
InChIKey
WYNZXNXFHYJUTE-UHFFFAOYSA-N
Canonic Smiles
O=C1OOC1=O
Isomeric Smiles
O=C1OOC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.48819003
LogD (pH = 7.4)
0.48819003
Log P
0.48819003
Molar Refractivity
12.5834
Polarizability
5.6277657
Polar Surface Area
52.6
Rotatable Bonds
0
Lipinski's Rule of Five
true
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Properties
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Molecular Spectra
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Molecule Details
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Bioactivity
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1,2-Dioxetanedione
PubChem
14833747
Names and Identifiers
Synonyms
1,2-Dioxetanedione
Peroxyacid ester
IUPAC Traditional name
1,2-dioxetanedione
IUPAC name
1,2-dioxetane-3,4-dione
Registration numbers
Chemspider ID
11535432
PubChem CID
14833747
Wikipedia Title
1,2-Dioxetanedione
CAS Number
26974-08-3
PubChem SID
162219459
Molecule Details
Wikipedia
1,2-Dioxetanedione
References
PubChem Literature
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Bioactivity
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