chempirical

3-Allylsalicylaldehyde

C10H10O2CAS 24019-66-7162.19 g/mol

Open in Covalent MOL file
OHO
AldehydeAlkenePhenol

Properties

Molecular formula
C10H10O2
Molar mass
162.19 g/mol
Exact mass
162.0681 Da
logP
1.93Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
24019-66-7
SMILES
C=CCC1=C(C(=CC=C1)C=O)O
InChIKey
INLWEXRRMUMHKB-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c1-2-4-8-5-3-6-9(7-11)10(8)12/h2-3,5-7,12H,1,4H2

Weigh it out

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

Work with 3-Allylsalicylaldehyde

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

2,3-Dihydroxybenzaldehyde24677-78-951 % similar 3-Bromo-2-hydroxybenzaldehyde1829-34-150 % similar 3-Chloro-2-hydroxy-benzaldehyde1927-94-250 % similar 3-Fluorosalicylaldehyde394-50-349 % similar 3-Methylsalicylaldehyde824-42-049 % similar 2-Allylphenol1745-81-947 % similar 3-Ethoxysalicylaldehyde492-88-645 % similar 3-tert-Butyl-2-hydroxybenzaldehyde24623-65-245 % similar

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

Same formula

γ-Phenyl-γ-butyrolactone1008-76-0 1,4-Diacetylbenzene1009-61-6 Methyl cinnamate103-26-4 Cinnamyl formate104-65-4 α-Methylcinnamic acid1199-77-5 Isosafrole120-58-1 4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-7 6-Methoxy-1-indanone13623-25-1

Elsewhere

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