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2D Structure

Crotonic Acid


  • SKU Code: CH138575
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Chemical Name - Crotonic Acid
Mol Weight - 86.0896
Smiles - C/C=C/C(O)=O
Property Name Property Value
Mol NameCrotonic Acid
Molweight86.0896
Monoisotopic Mass86.03678
Clogp0.3575
Clogs-0.771
H Acceptors2
H Donors1
Total Surface Area76.36
Relative Psa0.34233
Polar Surface Area37.3
Druglikeness-3.105
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.83333
Molecular Flexibility0.45138
Molecular Complexity0.80472
Fragments1
Non H Atoms6
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds1
Sp3 Atoms2
Acidic Oxygens1
SmilesC/C=C/C(O)=O
InChIKeyInChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)
InChILDHQCZJRKDOVOX-UHFFFAOYSA-N

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