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Chem 35 Di Tert Butyl 2 Hydroxybenzaldehyde Dsrpl | Cheminformatics

3,5-Di-tert-butyl-2-hydroxybenzaldehyde


  • SKU Code: CH141472
Chemical Name - 3,5-Di-tert-butyl-2-hydroxybenzaldehyde
Mol Weight - 234.338
Smiles - CC(C)(C)c(cc1C(C)(C)C)cc(C=O)c1O
Property Name Property Value
Mol Name3,5-Di-tert-butyl-2-hydroxybenzaldehyde
Molweight234.338
Monoisotopic Mass234.16198
Clogp4.411
Clogs-3.964
H Acceptors2
H Donors1
Total Surface Area193.53
Relative Psa0.13507
Polar Surface Area37.3
Druglikeness-7.2808
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.41176
Molecular Flexibility0.56059
Molecular Complexity0.69203
Fragments1
Non H Atoms17
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds3
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms9
Symmetric Atoms4
SmilesCC(C)(C)c(cc1C(C)(C)C)cc(C=O)c1O
InChIKeyInChI=1S/C15H22O2/c1-14(2,3)11-7-10(9-16)13(17)12(8-11)15(4,5)6/h7-9,17H,1-6H3
InChIRRIQVLZDOZPJTH-UHFFFAOYSA-N

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