Molecule

ID:135196

General Information
Structure
MolImage
Molecular Formula
C₄H₄O₄
Molecular Mass
120.04277935
Exact Mass
120.02437796
Charge
0
InChI
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/i1+1,2+1,3+1,4+1
InChIKey
VZCYOOQTPOCHFL-JCDJMFQYSA-N
Canonic Smiles
O[13C](=O)/[13CH]=[13CH]/[13C](=O)O
Isomeric Smiles
[13CH](=[13CH]\[13C](=O)O)/[13C](=O)O
Calculated Properties
JChem
Acid pKa
3.5457325
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.1057482
LogD (pH = 7.4)
-6.3127127
Log P
-0.04091433
Molar Refractivity
24.607
Polarizability
9.126
Polar Surface Area
74.6
Rotatable Bonds
2
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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