chempirical

2,3-Dimethylbenzaldehyde

C9H10OCAS 5779-93-1134.18 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C9H10O
Molar mass
134.18 g/mol
Exact mass
134.0732 Da
Boiling point
86–88 °C (at 10 Torr)
logP
2.12Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
5779-93-1
SMILES
Cc1cccc(C=O)c1C
InChIKey
UIFVCPMLQXKEEU-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O/c1-7-4-3-5-9(6-10)8(7)2/h3-6H,1-2H3

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

Names and synonyms

2 names
  • Benzaldehyde, 2,3-dimethyl-
  • Hemellitaldehyde

Work with 2,3-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-Methylbenzaldehyde529-20-465 % similar 3-Methylsalicylaldehyde824-42-060 % similar 1,2,3-Trimethylbenzene526-73-854 % similar Phthalaldehyde643-79-848 % similar 2-Chloro-6-methylbenzaldehyde1194-64-547 % similar 2-Fluoro-6-methylbenzaldehyde117752-04-245 % similar 1-Iodo-2,3-dimethylbenzene31599-60-745 % similar 1-Bromo-2,3-dimethylbenzene576-23-845 % 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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