4,4′-(1,2-Ethenediyl)bis[benzoic acid]

C₁₆H₁₂O₄CAS 100-31-2268.27 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
Melting point: 352–354 °C
logP: 3.25Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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

100-31-2

SMILES

O=C(O)c1ccc(C=Cc2ccc(C(=O)O)cc2)cc1

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.

Names and synonyms

4 names

Benzoic acid, 4,4′-(1,2-ethenediyl)bis-
4,4′-Stilbenedicarboxylic acid
4,4′-Dicarboxystilbene
NSC 40932

Work with 4,4′-(1,2-Ethenediyl)bis[benzoic 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.

4,4'-Stilbenedicarboxylic acid133005-88-6

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 Tetrakis(4-carboxyphenyl)ethylene1351279-73-663 % similar [P-Terphenyl]-4,4''-dicarboxylic acid13653-84-463 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-263 % similar 4,4′-Oxybis[benzoic acid]2215-89-658 % similar

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

Same formula

Formononetin485-72-3 Techtochrysin520-28-5 Isoxepac55453-87-7 Rubiadin 1-methyl ether7460-43-7

Elsewhere

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