Chem 4 Methyl Benzaldehyde Bcipl | Cheminformatics
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2D Structure

4-Methyl Benzaldehyde


  • SKU Code: CH141875
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Chemical Name - 4-Methyl Benzaldehyde
Mol Weight - 120.151
Smiles - Cc1ccc(C=O)cc1
InChI - FXLOVSHXALFLKQ-UHFFFAOYSA-N
InChIKey - InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
Property Name Property Value
Mol Name4-Methyl Benzaldehyde
Molweight120.151
Monoisotopic Mass120.057515
Clogp1.9368
Clogs-2.284
H Acceptors1
Total Surface Area105.06
Relative Psa0.12412
Polar Surface Area17.07
Druglikeness-4.2704
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.77778
Molecular Flexibility0.33178
Molecular Complexity0.64124
Fragments1
Non H Atoms9
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms1
Symmetric Atoms2
SmilesCc1ccc(C=O)cc1
InChIKeyInChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
InChIFXLOVSHXALFLKQ-UHFFFAOYSA-N

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