4-Ethoxycinnamic acid

C₁₁H₁₂O₃CAS 2373-79-7192.21 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Ether

Properties

Molecular formula: C₁₁H₁₂O₃
Molar mass: 192.21 g/mol
Exact mass: 192.0786 Da
logP: 2.18Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4
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

2373-79-7

SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)O

InChIKey

DZLOUWYGNATKKZ-VMPITWQZSA-N

InChI

InChI=1S/C11H12O3/c1-2-14-10-6-3-9(4-7-10)5-8-11(12)13/h3-8H,2H2,1H3,(H,12,13)/b8-5+

Weigh it out

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

Work with 4-Ethoxycinnamic 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

3-(4-Propoxyphenyl)acrylic acid69033-81-478 % similar 4-Methoxycinnamic acid830-09-165 % similar 4-Methoxycinnamic acid943-89-565 % similar p-Phenylenediacrylic acid16323-43-663 % similar 3-[4-(Acetyloxy)phenyl]-2-propenoic acid15486-19-860 % similar 3-(2-Ethoxyphenyl)-2-propenoic acid69038-81-957 % similar 4-Methylcinnamic acid1866-39-357 % similar 3-[4-(Trifluoromethoxy)phenyl]acrylic acid783-13-156 % similar

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

Same formula

Dehydrozingerone1080-12-2 Helional1205-17-0 Ethyl 3-phenylglycidate121-39-1 (3-Methoxyphenyl)methyl 2-propenoate144261-46-1 δ-Oxobenzenepentanoic acid1501-05-9 Methyl 2-phenylacetoacetate16648-44-5 1-(4-Methoxyphenyl)cyclopropanecarboxylic acid16728-01-1 5,6-Dimethoxy-1-indanone2107-69-9

Elsewhere

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