chempirical

Hydrocinnamaldehyde

C9H10OCAS 104-53-0134.18 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C9H10O
Molar mass
134.18 g/mol
Exact mass
134.0732 Da
Density
1.018 g/mL (at 20 °C)
Melting point
47 °C
Boiling point
224 °C
logP
1.82Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
104-53-0
SMILES
O=CCCc1ccccc1
InChIKey
YGCZTXZTJXYWCO-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2

Weigh it out

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

Names and synonyms

11 names
  • Benzenepropanal
  • Benzylacetaldehyde
  • Hydrocinnamic aldehyde
  • 3-Phenylpropanal
  • β-Phenylpropionaldehyde
  • 3-Phenylpropyl aldehyde
  • 3-Phenylpropionaldehyde
  • 3-Phenyl-1-propanal
  • Dihydrocinnamaldehyde
  • NSC 9271
  • 3-Phenylpropanaldehyde

Work with Hydrocinnamaldehyde

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

Phenylacetaldehyde122-78-161 % similar 3-(Trifluoromethyl)benzenepropanal21172-41-853 % similar 4-Phenyl-1-butene768-56-952 % similar Bourgeonal18127-01-052 % similar Bibenzyl103-29-750 % similar (Benzyloxy)acetaldehyde60656-87-350 % similar 1,3-Diphenylpropane1081-75-048 % similar 2-Phenylethyl formate104-62-146 % similar

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

Same formula

Phenylacetone103-79-7 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 4-Indanol1641-41-4

Elsewhere

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