Chem Fumaric Acid Pa Pacific | Cheminformatics
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2D Structure

Fumaric Acid


  • SKU Code: CH138929
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Chemical Name - Fumaric Acid
Mol Weight - 116.072
Smiles - OC(/C=C/C(O)=O)=O
Property Name Property Value
Mol NameFumaric Acid
Molweight116.072
Monoisotopic Mass116.01096
Clogp-0.9188
Clogs-0.246
H Acceptors4
H Donors2
Total Surface Area88.2
Relative Psa0.59274
Polar Surface Area74.6
Druglikeness1.9085
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Shape Index0.75
Molecular Flexibility0.47482
Molecular Complexity0.64864
Fragments1
Non H Atoms8
Non Ch Atoms4
Electronegative Atoms4
Rotatable Bonds2
Sp3 Atoms2
Symmetric Atoms4
Acidic Oxygens2
SmilesOC(/C=C/C(O)=O)=O
InChIKeyInChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)
InChIVZCYOOQTPOCHFL-UHFFFAOYSA-N

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