chempirical

trans-4-Methoxycinnamic acid

C10H10O3CAS 943-89-5178.19 g/mol

Open in Covalent MOL file
OOOH
AlkeneCarboxylic acidEther

Properties

Molecular formula
C10H10O3
Molar mass
178.19 g/mol
Exact mass
178.0630 Da
Melting point
188 °C
logP
1.79Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
943-89-5
SMILES
COc1ccc(/C=C/C(=O)O)cc1
InChIKey
AFDXODALSZRGIH-QPJJXVBHSA-N
InChI
InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+

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

Names and synonyms

10 names
  • 2-Propenoic acid, 3-(4-methoxyphenyl)-, (2E)-
  • Cinnamic acid, p-methoxy-, (E)-
  • 2-Propenoic acid, 3-(4-methoxyphenyl)-, (E)-
  • (2E)-3-(4-Methoxyphenyl)-2-propenoic acid
  • trans-p-Methoxycinnamic acid
  • (E)-p-Methoxycinnamic acid
  • (E)-4-Methoxycinnamic acid
  • (E)-3-(4-Methoxyphenyl)acrylic acid
  • trans-3-(4-Methoxyphenyl)-2-propenoic acid
  • (E)-3-(4-Methoxyphenyl)-2-propenoic acid

Work with trans-4-Methoxycinnamic 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-Methoxycinnamic acid830-09-1100 % similar 3-(3,5-Dimethoxyphenyl)-2-propenoic acid16909-11-871 % similar P-Phenylenediacrylic acid16323-43-669 % similar 3-Methoxycinnamic acid6099-04-368 % similar 3,4-Dimethoxycinnamic acid14737-89-465 % similar 3-[4-(Acetyloxy)phenyl]-2-propenoic acid15486-19-865 % similar 3′,4′-Dimethoxycinnamic acid2316-26-965 % similar 4,4′-Dimethoxychalcone2373-89-963 % similar

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

Same formula

trans-2-Methoxycinnamic acid1011-54-7 1-[4-(Acetyloxy)phenyl]ethanone13031-43-1 Ethyl benzoylformate1603-79-8 3-Benzoylpropionic acid2051-95-8 2-(Acetyloxy)-1-phenylethanone2243-35-8 1-[3-(Acetyloxy)phenyl]ethanone2454-35-5 3,4-Methylenedioxypropiophenone28281-49-4 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethanone2879-20-1

Elsewhere

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