chempirical

3-Methylbenzaldehyde

C8H8OCAS 620-23-5120.15 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C8H8O
Molar mass
120.15 g/mol
Exact mass
120.0575 Da
Melting point
below 25 °C
Boiling point
199 °C
logP
1.81Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
620-23-5
SMILES
Cc1cccc(C=O)c1
InChIKey
OVWYEQOVUDKZNU-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3

Weigh it out

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

Names and synonyms

8 names
  • Benzaldehyde, 3-methyl-
  • m-Tolualdehyde
  • m-Methylbenzaldehyde
  • m-Formyltoluene
  • 3-Tolualdehyde
  • NSC 1244
  • NSC 89859
  • 3-Methylphenylcarboxaldehyde

Work with 3-Methylbenzaldehyde

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-(4-Methylphenyl)benzaldehyde116470-54-363 % similar 3-Methylstyrene100-80-157 % similar [1,1′-Biphenyl]-3-carboxaldehyde1204-60-057 % similar Benzaldehyde100-52-754 % similar 3-Fluorobenzaldehyde456-48-454 % similar M-Xylene108-38-352 % similar 3-Hydroxybenzaldehyde100-83-452 % similar 3-Bromobenzaldehyde3132-99-852 % similar

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

Same formula

4-Methylbenzaldehyde104-87-0 Phenylacetaldehyde122-78-1 (+)-Styrene oxide20780-53-4 (S)-Styrene oxide20780-54-5 4-Vinylphenol2628-17-3 Phthalane496-14-0 Dihydrobenzofuran496-16-2 2-Methylbenzaldehyde529-20-4

Elsewhere

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