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Benzaldehyde


  • SKU Code: CH138599
Chemical Name - Benzaldehyde
Mol Weight - 106.124
Smiles - O=Cc1ccccc1
Property Name Property Value
Mol NameBenzaldehyde
Molweight106.124
Monoisotopic Mass106.041865
Clogp1.5929
Clogs-1.94
H Acceptors1
Total Surface Area92.8
Relative Psa0.14052
Polar Surface Area17.07
Druglikeness-4.225
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Shape Index0.75
Molecular Flexibility0.36209
Molecular Complexity0.54931
Fragments1
Non H Atoms8
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Symmetric Atoms2
SmilesO=Cc1ccccc1
InChIKeyInChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
InChIHUMNYLRZRPPJDN-UHFFFAOYSA-N

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