Molecule

ID:107371

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂AlO₉
Molecular Mass
291.167718
Exact Mass
291.02967059
Charge
0
InChI
InChI=1S/3C3H4O3.Al/c3*4-2-1-3(5)6;/h3*2H,1H2,(H,5,6);/q;;;+3/p-3
InChIKey
XISLAKGMLRLKSX-UHFFFAOYSA-K
Canonic Smiles
O=CCC(=O)[O-].O=CCC(=O)[O-].O=CCC(=O)[O-].[AlH3+3]
Isomeric Smiles
[AlH3+3].[O-]C(=O)CC=O.[O-]C(=O)CC=O.[O-]C(=O)CC=O
Calculated Properties
JChem
Acid pKa
3.7620504
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.2285888
LogD (pH = 7.4)
-3.7691336
Log P
-0.48973352
Molar Refractivity
28.8995
Polarizability
6.905475
Polar Surface Area
57.2
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation