chempirical

(E)-5,5'-(Diazene-1,2-diyl)diisophthalic acid

C16H10N2O8CAS 365549-33-3358.26 g/mol

Open in Covalent MOL file
OOHNNOOHOHOOHO
AzoCarboxylic acid

Properties

Molecular formula
C16H10N2O8
Molar mass
358.26 g/mol
Exact mass
358.0437 Da
logP
2.89Crippen estimate
Polar surface area
173.9 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
6

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
365549-33-3
SMILES
C1=C(C=C(C=C1C(=O)O)N=NC2=CC(=CC(=C2)C(=O)O)C(=O)O)C(=O)O
InChIKey
MXBBZODCMBYDCL-UHFFFAOYSA-N
InChI
InChI=1S/C16H10N2O8/c19-13(20)7-1-8(14(21)22)4-11(3-7)17-18-12-5-9(15(23)24)2-10(6-12)16(25)26/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)

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Work with (E)-5,5'-(Diazene-1,2-diyl)diisophthalic 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

Trimesic acid554-95-071 % similar Biphenyl-3,3',5,5'-tetracarboxylic acid4371-28-263 % similar 4,4′-(1,2-Diazenediyl)bis[benzoic acid]586-91-462 % similar 5-Bromo-1,3-benzenedicarboxylic acid23351-91-958 % similar 5-Hydroxyisophthalic acid618-83-758 % similar Uvitic acid499-49-056 % similar 3,5-Dicarboxyaniline99-31-056 % similar Isophthalic acid121-91-554 % similar

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

Elsewhere

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