Molecule

ID:88814

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₃
Molecular Mass
132.15768
Exact Mass
132.07864424
Charge
0
InChI
InChI=1S/C6H12O3/c1-6(2,4-7)5(8)9-3/h7H,4H2,1-3H3
InChIKey
KJRFTNVYOAGTHK-UHFFFAOYSA-N
Canonic Smiles
OCC(C(=O)OC)(C)C
Isomeric Smiles
O(C(=O)C(C)(CO)C)C
Calculated Properties
JChem
Acid pKa
14.893201
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.44131362
LogD (pH = 7.4)
0.4413136
Log P
0.44131362
Molar Refractivity
32.8899
Polarizability
13.213227
Polar Surface Area
46.53
Rotatable Bonds
3
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