Molecule

ID:2502

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₂
Molecular Mass
88.10512
Exact Mass
88.0524295
Charge
0
InChI
InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m0/s1
InChIKey
ROWKJAVDOGWPAT-VKHMYHEASA-N
Canonic Smiles
CC(=O)[C@@H](O)C
Isomeric Smiles
C[C@H](O)C(=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
-0.14
LogD (pH = 5.5)
-0.14
Log P
-0.14
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
13.72
Polar Surface Area
37.30
Polarizability
9.10
Molar Refractivity
22.39
LOG S
0.12
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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