Ag 490

C₁₇H₁₄N₂O₃CAS 134036-52-5294.31 g/mol

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Alkene Amide Nitrile Phenol

Properties

Molecular formula: C₁₇H₁₄N₂O₃
Molar mass: 294.31 g/mol
Exact mass: 294.1004 Da
logP: 2.32Crippen estimate
Polar surface area: 93.3 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 4
Double bonds: EE/Z, in SMILES order

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H400 Very toxic to aquatic life97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P316, P321, P330, P391, P405, P501

Identifiers

CAS number

134036-52-5

SMILES

C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N

InChIKey

TUCIOBMMDDOEMM-RIYZIHGNSA-N

InChI

InChI=1S/C17H14N2O3/c18-10-14(8-13-6-7-15(20)16(21)9-13)17(22)19-11-12-4-2-1-3-5-12/h1-9,20-21H,11H2,(H,19,22)/b14-8+

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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.

(2E)-2-Cyano-3-(3,4-dihydroxyphenyl)-N-(phenylmethyl)-2-propenamide133550-30-8Stereo not defined

Similar compounds

Tyrphostin A46122520-85-857 % similar Tyrphostin 23118409-57-753 % similar Caffeic acid phenethyl ester104594-70-942 % similar α-Cyanocinnamic acid1011-92-340 % similar 2-Cyano-3-(3-hydroxyphenyl)-2-propenoic acid54673-07-340 % similar Tyrphostin ag 126118409-62-439 % similar 3-(1,3-Benzodioxol-5-yl)-2-cyanoacrylic acid49711-55-938 % similar α-Cyano-4-hydroxycinnamic acid28166-41-838 % similar

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

Same formula

5-Phenyl-1-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione72846-00-5

Elsewhere

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