chempirical

3,4-Dimethylbenzaldehyde

C9H10OCAS 5973-71-7134.18 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
225–228 °C
logP
2.12Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
5973-71-7
SMILES
Cc1ccc(C=O)cc1C
InChIKey
POQJHLBMLVTHAU-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O/c1-7-3-4-9(6-10)5-8(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, 3,4-dimethyl-
  • 3,4-DBAL

Work with 3,4-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Fluoro-4-methylbenzaldehyde177756-62-664 % similar 3′,4′-Dimethyl[1,1′-biphenyl]-3-carboxaldehyde343604-07-963 % similar 3-Methoxy-4-methylbenzaldehyde24973-22-660 % similar 4-Methoxy-3-methylbenzaldehyde32723-67-460 % similar 4-Methyl-3-nitrobenzaldehyde31680-07-655 % similar 3,5-Dimethyl-4-hydroxybenzaldehyde2233-18-354 % similar 4-Methylbenzaldehyde104-87-050 % similar 1,4-Benzenedicarboxaldehyde623-27-850 % 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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