trans-2-Methoxycinnamic acid

C₁₀H₁₀O₃CAS 1011-54-7178.19 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₁₀O₃
Molar mass: 178.19 g/mol
Exact mass: 178.0630 Da
Melting point: 182 °C
logP: 1.79Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H315 Causes skin irritation91.4% of notifiers
H319 Causes serious eye irritation91.4% of notifiers
H335 May cause respiratory irritation91.4% of notifiers

Aggregated from 128 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1011-54-7

SMILES

COc1ccccc1/C=C/C(=O)O

InChIKey

FEGVSPGUHMGGBO-VOTSOKGWSA-N

InChI

InChI=1S/C10H10O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+

Weigh it out

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

Names and synonyms

13 names · show all

2-Propenoic acid, 3-(2-methoxyphenyl)-, (2E)-
Cinnamic acid, o-methoxy-, (E)-
2-Propenoic acid, 3-(2-methoxyphenyl)-, (E)-
Cinnamic acid, o-methoxy-, trans-
(2E)-3-(2-Methoxyphenyl)-2-propenoic acid
(E)-o-Methoxycinnamic acid
(E)-2-Methoxycinnamic acid
(E)-3-(2-Methoxyphenyl)acrylic acid
trans-3-(2-Methoxyphenyl)-2-propenoic acid
trans-o-Methoxycinnamic acid
(E)-3-(2-Methoxyphenyl)-2-propenoic acid
(2E)-3-(2-Methoxyphenyl)prop-2-enoic acid
2-Methoxycinnamic acid

Work with trans-2-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Methoxycinnamic acid6099-03-2Stereo not defined

Similar compounds

2',3'-Dimethoxycinnamic acid7345-82-676 % similar 3-(2,3-Dimethoxyphenyl)-2-propenoic acid7461-60-176 % similar (1E,4E)-1,5-Bis(2-methoxyphenyl)penta-1,4-dien-3-one39777-61-269 % similar 3-(2,5-Dimethoxyphenyl)-2-propenoic acid10538-51-967 % similar 2',5'-Dimethoxycinnamic acid161282-95-767 % similar (2E)-3-(2,4-Dimethoxyphenyl)-2-propenoic acid16909-09-467 % similar 3-[2-(Acetyloxy)phenyl]-2-propenoic acid55620-18-367 % similar 3-(2-Ethoxyphenyl)-2-propenoic acid69038-81-967 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-[4-(Acetyloxy)phenyl]ethanone13031-43-1 Ethyl benzoylformate1603-79-8 3-Methoxycinnamic acid17570-26-2 5-(2-Furyl)cyclohexane-1,3-dione1774-11-4 Methyl 4-hydroxycinnamate19367-38-5 3-Benzoylpropionic acid2051-95-8 2-(Acetyloxy)-1-phenylethanone2243-35-8 3-(Oxiran-2-ylmethoxy)benzaldehyde22590-64-3

Elsewhere

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