chempirical

Biphenyl-3,3',5,5'-tetracarboxylic acid

C16H10O8CAS 4371-28-2330.25 g/mol

Open in Covalent MOL file
OHOOOHOOHOHO
Carboxylic acid

Properties

Molecular formula
C16H10O8
Molar mass
330.25 g/mol
Exact mass
330.0376 Da
logP
2.15Crippen estimate
Polar surface area
149.2 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
5

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
4371-28-2
SMILES
C1=C(C=C(C=C1C(=O)O)C(=O)O)C2=CC(=CC(=C2)C(=O)O)C(=O)O
InChIKey
QURGMSIQFRADOZ-UHFFFAOYSA-N
InChI
InChI=1S/C16H10O8/c17-13(18)9-1-7(2-10(5-9)14(19)20)8-3-11(15(21)22)6-12(4-8)16(23)24/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)

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Work with Biphenyl-3,3',5,5'-tetracarboxylic 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 acid554-95-083 % similar 5-Bromo-1,3-benzenedicarboxylic acid23351-91-965 % similar 5-Hydroxyisophthalic acid618-83-765 % similar [1,1':3',1'':3'',1'''-Quaterphenyl]-4,4'''-dicarboxylic acid,5',5''-bis(4-carboxyphenyl)-1383925-31-263 % similar (E)-5,5'-(Diazene-1,2-diyl)diisophthalic acid365549-33-363 % similar Uvitic acid499-49-063 % similar 1,3,5-Tris(4-carboxyphenyl)benzene50446-44-163 % similar 4-(4-(3,5-Bis(4-(4-carboxyphenyl)phenyl)phenyl)phenyl)benzoic acid911818-75-263 % similar

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

Same formula

3,3′-Di-O-methylellagic acid2239-88-5 3,3′,4,4′-Biphenyltetracarboxylic acid22803-05-0

Elsewhere

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