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

C₁₄H₁₀N₂O₄CAS 586-91-4270.24 g/mol

Open in Covalent MOL file

Azo Carboxylic acid

Properties

Molecular formula: C₁₄H₁₀N₂O₄
Molar mass: 270.24 g/mol
Exact mass: 270.0641 Da
Melting point: 117 °C
logP: 3.50Crippen estimate
Polar surface area: 99.3 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4

Identifiers

CAS number

586-91-4

SMILES

O=C(O)c1ccc(N=Nc2ccc(C(=O)O)cc2)cc1

InChIKey

NWHZQELJCLSKNV-UHFFFAOYSA-N

InChI

InChI=1S/C14H10N2O4/c17-13(18)9-1-5-11(6-2-9)15-16-12-7-3-10(4-8-12)14(19)20/h1-8H,(H,17,18)(H,19,20)

Weigh it out

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

Names and synonyms

7 names

Benzoic acid, 4,4′-(1,2-diazenediyl)bis-
Benzoic acid, 4,4′-azodi-
Benzoic acid, 4,4′-azobis-
Benzoic acid, p,p′-azodi-
4,4′-Azobenzenedicarboxylic acid
4,4′-Azobisbenzoic acid
4,4′-Azodibenzoic acid

Work with 4,4′-(1,2-Diazenediyl)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

Similar compounds

Terephthalic acid100-21-071 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-263 % similar Acedoben556-08-162 % similar 4-Isothiocyanatobenzoic acid2131-62-660 % similar 4-Azidobenzoic acid6427-66-360 % 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

1,5-Diamino-4,8-dihydroxy-9,10-anthracenedione145-49-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook