chempirical

2,6-Dimethylbenzaldehyde

C9H10OCAS 1123-56-4134.18 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C9H10O
Molar mass
134.18 g/mol
Exact mass
134.0732 Da
Melting point
11 °C
Boiling point
226–228 °C
logP
2.12Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
1123-56-4
SMILES
Cc1cccc(C)c1C=O
InChIKey
QOJQBWSZHCKOLL-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O/c1-7-4-3-5-8(2)9(7)6-10/h3-6H,1-2H3

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

Names and synonyms

1 names
  • Benzaldehyde, 2,6-dimethyl-

Work with 2,6-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloro-6-methylbenzaldehyde1194-64-572 % similar 2-Fluoro-6-methylbenzaldehyde117752-04-269 % similar 2,3-Dimethylbenzaldehyde5779-93-156 % similar 3-Methylsalicylaldehyde824-42-052 % similar 2-Chloro-6-fluoro-3-methylbenzaldehyde104451-99-252 % similar 2,6-Dihydroxybenzaldehyde387-46-248 % similar 2,6-Dichlorobenzaldehyde83-38-548 % similar 2,6-Dimethoxybenzaldehyde3392-97-046 % 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 P-Methylacetophenone122-00-9 5-Indanol1470-94-6 2,4-Dimethylbenzaldehyde15764-16-6 4-Indanol1641-41-4

Elsewhere

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