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Molecule
ID:128852
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₅O₂
Molecular Mass
92.0523
Exact Mass
91.98982924
Charge
0
InChI
InChI=1S/C5O2/c6-4-2-1-3-5-7
InChIKey
BKMBQDLZBSCFGV-UHFFFAOYSA-N
Canonic Smiles
O=C=C=C=C=C=O
Isomeric Smiles
O=C=C=C=C=C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.2489
LogD (pH = 7.4)
-0.2489
Log P
-0.2489
Molar Refractivity
21.1309
Polarizability
7.6785746
Polar Surface Area
34.14
Rotatable Bonds
0
Lipinski's Rule of Five
true
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Properties
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General Information
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Pentacarbon_dioxide
PubChem
521350
Names and Identifiers
IUPAC Traditional name
pentacarbon dioxide
IUPAC name
penta-1,2,3,4-tetraene-1,5-dione
Synonyms
Pentacarbon dioxide
Registration numbers
CAS Number
51799-36-1
Chemspider ID
454765
PubChem CID
521350
Wikipedia Title
Pentacarbon_dioxide
PubChem SID
162223155
Molecule Details
Wikipedia
Pentacarbon_dioxide
References
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Bioactivity
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