Tetrakis(4-carboxyphenyl)methane

C₂₉H₂₀O₈CAS 160248-28-2496.47 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₂₉H₂₀O₈
Molar mass: 496.47 g/mol
Exact mass: 496.1158 Da
logP: 4.86Crippen estimate
Polar surface area: 149.2 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 8

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

160248-28-2

SMILES

C1=CC(=CC=C1C(=O)O)C(C2=CC=C(C=C2)C(=O)O)(C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O

InChIKey

VSFXBCHNPQPWBX-UHFFFAOYSA-N

InChI

InChI=1S/C29H20O8/c30-25(31)17-1-9-21(10-2-17)29(22-11-3-18(4-12-22)26(32)33,23-13-5-19(6-14-23)27(34)35)24-15-7-20(8-16-24)28(36)37/h1-16H,(H,30,31)(H,32,33)(H,34,35)(H,36,37)

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Names and synonyms

1 names

4,4',4'',4'''-Methanetetrayltetrabenzoic acid

Work with Tetrakis(4-carboxyphenyl)methane

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 4-(Trifluoromethyl)benzoic acid455-24-367 % similar para-tert-Butylbenzoic acid98-73-767 % 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 2,2-Bis(4-carboxyphenyl)hexafluoropropane1171-47-762 % similar 4'-Trifluoromethylbiphenyl-4-carboxylic acid195457-71-760 % similar

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

Elsewhere

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