chempirical

4-Vinylbenzaldehyde

C9H8OCAS 1791-26-0132.16 g/mol

Open in Covalent MOL file
O
AldehydeAlkene

Properties

Molecular formula
C9H8O
Molar mass
132.16 g/mol
Exact mass
132.0575 Da
logP
2.14Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1791-26-0
SMILES
C=CC1=CC=C(C=C1)C=O
InChIKey
QBFNGLBSVFKILI-UHFFFAOYSA-N
InChI
InChI=1S/C9H8O/c1-2-8-3-5-9(7-10)6-4-8/h2-7H,1H2

Weigh it out

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Names and synonyms

1 names
  • 4-Vinyl-benzaldehyde

Work with 4-Vinylbenzaldehyde

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

1,4-Benzenedicarboxaldehyde623-27-867 % similar 4,4′-Diethenyl-1,1′-biphenyl4433-13-057 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-857 % similar P,P'-Divinyl-1,2-diphenylethane48174-52-352 % similar Styrene100-42-550 % similar Benzaldehyde100-52-750 % similar 4-Methylbenzaldehyde104-87-050 % similar 4-Chlorobenzaldehyde104-88-150 % similar

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

Same formula

Cinnamaldehyde104-55-2 4-Carboxaldehydebenzocyclobutene112892-88-3 (2-Propyn-1-yloxy)benzene13610-02-1 Cinnamaldehyde14371-10-9 3-Phenyl-2-propyn-1-ol1504-58-1 3-Methylbenzofuran21535-97-7 α-Ethynylbenzenemethanol4187-87-5 Atropaldehyde4432-63-7

Elsewhere

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