4-Acetylbenzaldehyde

C₉H₈O₂CAS 3457-45-2148.16 g/mol

Open in Covalent MOL file

Aldehyde Ketone

Properties

Molecular formula: C₉H₈O₂
Molar mass: 148.16 g/mol
Exact mass: 148.0524 Da
logP: 1.70Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

3457-45-2

SMILES

CC(=O)C1=CC=C(C=C1)C=O

InChIKey

KTFKRVMXIVSARW-UHFFFAOYSA-N

InChI

InChI=1S/C9H8O2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-6H,1H3

Weigh it out

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Names and synonyms

1 names

Benzaldehyde, 4-acetyl-

Work with 4-Acetylbenzaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Diacetylbenzene1009-61-665 % similar 4,4',4'',4'''-(Ethene-1,1,2,2-tetrayl)tetrabenzaldehyde2170451-48-458 % similar 4,4'-Diacetylbiphenyl787-69-958 % similar P-Methylacetophenone122-00-954 % similar 4-Carboxybenzaldehyde619-66-953 % similar Methyl 4-formylbenzoate1571-08-053 % similar 1,4-Benzenedicarboxaldehyde623-27-852 % similar Acetophenone98-86-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Vinylbenzoic acid1075-49-6 Dihydrocoumarin119-84-6 5-Methoxybenzofuran13391-28-1 Cinnamic acid140-10-3 3,4-Dihydro-1H-2-benzopyran-4-one20924-56-5 5-Hydroxy-1-indanone3470-49-3 4-Hydroxyindan-1-one40731-98-4 3-Isochromanone4385-35-7

Elsewhere

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