Vinyl trans-cinnamate

C₁₁H₁₀O₂CAS 3098-92-8174.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₀O₂
Molar mass: 174.20 g/mol
Exact mass: 174.0681 Da
logP: 2.39Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

3098-92-8

SMILES

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

InChIKey

WGXGKXTZIQFQFO-CMDGGOBGSA-N

InChI

InChI=1S/C11H10O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h2-9H,1H2/b9-8+

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Names and synonyms

1 names

Vinyl cinnamate

Work with Vinyl trans-cinnamate

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

Allyl cinnamate1866-31-559 % similar Methyl cinnamate103-26-459 % similar Phenyl cinnamate2757-04-259 % similar Ethyl cinnamate103-36-654 % similar Benzyl cinnamate103-41-354 % similar Cinnamyl cinnamate122-69-054 % similar Isopropyl cinnamate7780-06-554 % similar Phenethyl cinnamate103-53-753 % similar

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

Same formula

2-Ethyl-4H-chromen-4-one14736-30-2 5-Phenyl-2,4-pentadienoic acid1552-94-9 Propylidenephthalide17369-59-4 1,2,6,7-Tetrahydro-8H-indeno[5,4-b]furan-8-one196597-78-1 Ethyl phenylpropiolate2216-94-6 6-Methoxy-2-naphthol5111-66-0 1-Phenyl-2-oxo-3-oxabicyclo[3.1.0]hexane63106-93-4 4-Methoxy-1-naphthol84-85-5

Elsewhere

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