5,5'-(Carbonylbis(azanediyl))diisophthalic acid

C₁₇H₁₂N₂O₉CAS 105699-82-9388.29 g/mol

Open in Covalent MOL file

Carboxylic acid Urea

Properties

Molecular formula: C₁₇H₁₂N₂O₉
Molar mass: 388.29 g/mol
Exact mass: 388.0543 Da
logP: 2.12Crippen estimate
Polar surface area: 190.3 Å²
H-bond donors / acceptors: 6 / 5
Rotatable bonds: 6

Identifiers

CAS number

105699-82-9

SMILES

C1=C(C=C(C=C1C(=O)O)NC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)C(=O)O

InChIKey

GDRBVHIQLGZJJP-UHFFFAOYSA-N

InChI

InChI=1S/C17H12N2O9/c20-13(21)7-1-8(14(22)23)4-11(3-7)18-17(28)19-12-5-9(15(24)25)2-10(6-12)16(26)27/h1-6H,(H,20,21)(H,22,23)(H,24,25)(H,26,27)(H2,18,19,28)

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

Work with 5,5'-(Carbonylbis(azanediyl))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 acid554-95-063 % similar 5-Bromo-1,3-benzenedicarboxylic acid23351-91-952 % similar 5-Hydroxyisophthalic acid618-83-752 % similar Uvitic acid499-49-050 % similar 3,5-Dicarboxyaniline99-31-050 % similar Isophthalic acid121-91-548 % similar 5-Nitroisophthalic acid618-88-247 % similar Dinicotinic acid499-81-047 % similar

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

Elsewhere

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