3,5-Dimethylbenzaldehyde

C₉H₁₀OCAS 5779-95-3134.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₀O
Molar mass: 134.18 g/mol
Exact mass: 134.0732 Da
logP: 2.12Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

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

5779-95-3

SMILES

CC1=CC(=CC(=C1)C=O)C

InChIKey

NBEFMISJJNGCIZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H10O/c1-7-3-8(2)5-9(4-7)6-10/h3-6H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Benzaldehyde, 3,5-dimethyl-

Work with 3,5-Dimethylbenzaldehyde

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

3-Fluoro-5-methylbenzaldehyde189628-39-568 % similar 3-Methylbenzaldehyde620-23-560 % similar 1,3,5-Benzenetricarboxaldehyde3163-76-658 % similar 4-Methylbenzaldehyde104-87-057 % similar 2,4,6-Trimethylbenzaldehyde487-68-352 % similar Mesitylene108-67-850 % similar 4'-Methylbiphenyl-4-carbaldehyde36393-42-750 % similar 3,5-Dimethyl-4-hydroxybenzaldehyde2233-18-348 % similar

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

Same formula

Phenylacetone103-79-7 Hydrocinnamaldehyde104-53-0 Cinnamyl alcohol104-54-1 (4-Vinylphenyl)methanol1074-61-9 2,6-Dimethylbenzaldehyde1123-56-4 P-Methylacetophenone122-00-9 5-Indanol1470-94-6 2,4-Dimethylbenzaldehyde15764-16-6

Elsewhere

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