3-(4-Propoxyphenyl)acrylic acid

C₁₂H₁₄O₃CAS 69033-81-4206.24 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Ether

Properties

Molecular formula: C₁₂H₁₄O₃
Molar mass: 206.24 g/mol
Exact mass: 206.0943 Da
logP: 2.57Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 5
Double bonds: EE/Z, in SMILES order

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

69033-81-4

SMILES

CCCOC1=CC=C(C=C1)/C=C/C(=O)O

InChIKey

WTYNDSOJMSGRQV-VMPITWQZSA-N

InChI

InChI=1S/C12H14O3/c1-2-9-15-11-6-3-10(4-7-11)5-8-12(13)14/h3-8H,2,9H2,1H3,(H,13,14)/b8-5+

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Names and synonyms

1 names

4-Propoxycinnamic acid

Work with 3-(4-Propoxyphenyl)acrylic acid

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

4-Ethoxycinnamic acid2373-79-778 % similar 4-Methoxycinnamic acid830-09-162 % similar trans-4-Methoxycinnamic acid943-89-562 % similar p-Phenylenediacrylic acid16323-43-659 % similar 3-[4-(Acetyloxy)phenyl]-2-propenoic acid15486-19-857 % similar 4-Methylcinnamic acid1866-39-354 % similar 4-Propoxybenzaldehyde5736-85-654 % similar 4-Propoxybenzoic acid5438-19-754 % similar

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

Same formula

3,4-Dihydro-6,7-dimethoxy-1(2H)-naphthalenone13575-75-2 Ethyl 4-(3-oxopropyl)benzoate151864-81-2 Ethyl methoxycinnamate24393-56-4 3-Oxo-3-P-tolyl-propionic acid ethyl ester27835-00-3 3-Oxo-3-M-tolyl-propionic acid ethyl ester33166-79-9 4-(p-Acetoxyphenyl)-2-butanone3572-06-3 5-Benzoylvaleric acid4144-62-1 Benzyl 3-hydroxycyclobutane-1-carboxylate480449-99-8

Elsewhere

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