CAS: 104-87-0
Nom: 4-methylbenzaldehyde
SMILES:
CC1=CC=C(C=C1)C=OMolecular Processing
Molecular formula
C8H8O
Molecular weight
120.15
Exact mass
120.0575
XLogP
1.81
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
36.57
Supplementary Information
InChIKey: FXLOVSHXALFLKQ-UHFFFAOYSA-N
Synonymes
p-Tolualdehyde4-METHYLBENZALDEHYDE104-87-04-Tolualdehydep-Formyltoluenep-Tolylaldehydep-Methylbenzaldehydep-ToluylaldehydeBenzaldehyde, 4-methyl-para-Tolualdehydepara-Methylbenzaldehydepara-Toluyl aldehydeParatolualdehyde4-ToluylaldehydeDTXSID9041520GAX22QZ28QNSC-2224DTXCID7021520CHEBI:28617FEMA NO. 3068, P-RefChem:99842203-246-94-Methyl-BenzaldehydePTALMFCD00006954NSC 2224p-methyl benzaldehydeCHEMBL1909274-methyl benzaldehydep-toluic aldehyde
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