chempirical

2,4-Dimethylbenzaldehyde

C9H10OCAS 15764-16-6134.18 g/mol

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O
Aldehyde

Properties

Molecular formula
C9H10O
Molar mass
134.18 g/mol
Exact mass
134.0732 Da
Density
0.9328 g/mL (at 20 °C)
Boiling point
114 °C (at 20 Torr)
logP
2.12Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
15764-16-6
SMILES
Cc1ccc(C=O)c(C)c1
InChIKey
GISVICWQYMUPJF-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H3

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Names and synonyms

3 names
  • Benzaldehyde, 2,4-dimethyl-
  • 2,4-Dimethylbenzenecarboxaldehyde
  • 2,4-Methylbenzenecarboxaldehyde

Work with 2,4-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

2,5-Dimethylbenzaldehyde5779-94-270 % similar 2-Hydroxy-4-methylbenzaldehyde698-27-162 % similar 2,4-Dimethylstyrene2234-20-061 % similar 5-Methylsalicylaldehyde613-84-360 % similar 2,4,5-Trimethylbenzaldehyde5779-72-656 % similar 4-(Diethylamino)-2-methylbenzaldehyde92-14-851 % similar 1,2,4-Trimethylbenzene95-63-650 % similar 2,4-Dimethylphenol105-67-948 % 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 4-Indanol1641-41-4

Elsewhere

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