Molecule

ID:129997

General Information
Structure
MolImage
Molecular Formula
C₆H₈O₆
Molecular Mass
176.12412
Exact Mass
176.03208798
Charge
0
InChI
InChI=1S/C6H8O6/c7-3-10-1-6(12-5-9)2-11-4-8/h3-6H,1-2H2
InChIKey
UFTFJSFQGQCHQW-UHFFFAOYSA-N
Canonic Smiles
O=COC(COC=O)COC=O
Isomeric Smiles
C(C(COC=O)OC=O)OC=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.6617339
LogD (pH = 7.4)
-0.6617339
Log P
-0.6617339
Molar Refractivity
34.4991
Polarizability
14.39541
Polar Surface Area
78.9
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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