4,4'-Stilbenedicarboxylic acid

C16H12O4CAS 133005-88-6268.27 g/mol

Open in Covalent MOL file
OHOOOH
AlkeneCarboxylic 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

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
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

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′-(1,2-Ethenediyl)bis[benzoic acid]100-31-2

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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