Chem Allyl Alcohol 2 Lokc | Cheminformatics
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2D Structure

Allyl Alcohol


  • SKU Code: CH141951
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Chemical Name - Allyl Alcohol
Mol Weight - 58.0796
Smiles - C=CCO
InChI - XXROGKLTLUQVRX-UHFFFAOYSA-N
InChIKey - InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
Property Name Property Value
Mol NameAllyl Alcohol
Molweight58.0796
Monoisotopic Mass58.041865
Clogp0.3194
Clogs-0.686
H Acceptors1
H Donors1
Total Surface Area58.15
Relative Psa0.22528
Polar Surface Area20.23
Druglikeness-4.9356
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Shape Index1
Molecular Flexibility0.78905
Fragments1
Non H Atoms4
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds1
Sp3 Atoms2
SmilesC=CCO
InChIKeyInChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
InChIXXROGKLTLUQVRX-UHFFFAOYSA-N

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