4-Acetamidocinnamic acid

C₁₁H₁₁NO₃CAS 7152-04-7205.21 g/mol

Open in Covalent MOL file

Alkene Amide Carboxylic acid

Properties

Molecular formula: C₁₁H₁₁NO₃
Molar mass: 205.21 g/mol
Exact mass: 205.0739 Da
logP: 1.74Crippen estimate
Polar surface area: 66.4 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
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

7152-04-7

SMILES

CC(=O)NC1=CC=C(C=C1)/C=C/C(=O)O

InChIKey

WGMFHSADKZJPGR-QPJJXVBHSA-N

InChI

InChI=1S/C11H11NO3/c1-8(13)12-10-5-2-9(3-6-10)4-7-11(14)15/h2-7H,1H3,(H,12,13)(H,14,15)/b7-4+

Weigh it out

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

Work with 4-Acetamidocinnamic 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

p-Phenylenediacrylic acid16323-43-663 % similar 4-Methylcinnamic acid1866-39-357 % similar 3-(4-Formylphenyl)-2-propenoic acid23359-08-254 % similar P-Coumaric acid501-98-454 % similar p-Coumaric acid7400-08-054 % similar Cinnamic acid140-10-353 % similar Cinnamic acid621-82-953 % similar 4-Bromocinnamic acid1200-07-353 % similar

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

Same formula

(S)-1-Benzyl-3-hydroxypyrrolidine-2,5-dione101469-91-4 Methyl 4-methoxy-1H-indole-2-carboxylate111258-23-2 Rel-(3R,4S)-3-(Acetyloxy)-4-phenyl-2-azetidinone133066-59-8 6,7-Dimethoxy-4-hydroxyquinoline13425-93-9 (2Z)-4-Oxo-4-[(phenylmethyl)amino]-2-butenoic acid15329-69-8 Ethyl 5-aminobenzofuran-2-carboxylate174775-48-5 7-Amino-4-(methoxymethyl)-2H-chromen-2-one175205-10-4 Indole-3-lactic acid1821-52-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook