Molecule

ID:111829

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄MoO₆
Molecular Mass
326.17456
Exact Mass
327.98444617
Charge
0
InChI
InChI=1S/2C5H7O2.Mo.2O/c2*1-4(6)3-5(2)7;;;/h2*3H,1-2H3;;;/q2*-1;+2;;
InChIKey
PWDOIKXKCJKICU-UHFFFAOYSA-N
Canonic Smiles
CC1=[O][Mo+2]2(=O)(=O)([O]=C([CH-]1)C)[O]=C(C)[CH-]C(=[O]2)C
Isomeric Smiles
CC1=[O][Mo+2]2(=O)(=O)([O]=C(C)[CH-]1)[O]=C(C)[CH-]C(=[O]2)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
Molar Refractivity
99.293
Polar Surface Area
170.7
Rotatable Bonds
0
Lipinski's Rule of Five
false
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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