4,4'-Stilbenedicarboxylic acid

C₁₆H₁₂O₄CAS 133005-88-6268.27 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₁₆H₁₂O₄
Molar mass: 268.27 g/mol
Exact mass: 268.0736 Da
logP: 3.25Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Identifiers

CAS number

133005-88-6

SMILES

C1=CC(=CC=C1C=CC2=CC=C(C=C2)C(=O)O)C(=O)O

InChIKey

SBBQDUFLZGOASY-UHFFFAOYSA-N

InChI

InChI=1S/C16H12O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,(H,17,18)(H,19,20)

Weigh it out

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

Work with 4,4'-Stilbenedicarboxylic 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

Terephthalic acid100-21-071 % similar 4-(2-Carboxyethenyl)benzoic acid19675-63-971 % similar 4-Carboxybenzaldehyde619-66-969 % similar 4-Vinylbenzoic acid1075-49-667 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-263 % similar 4,4′-Oxybis[benzoic acid]2215-89-658 % similar 4-Hydroxybenzoic acid99-96-758 % similar Benzoic acid65-85-056 % similar

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

Same formula

4,4′-(1,2-Ethenediyl)bis[benzoic acid]100-31-2 Formononetin485-72-3 Techtochrysin520-28-5 Isoxepac55453-87-7 Rubiadin 1-methyl ether7460-43-7

Elsewhere

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