(T-4)-Bis[2-(hydroxy-κO)benzoato-κO]magnesium

C14H10MgO6CAS 18917-89-0298.53 g/mol

Open in Covalent MOL file
OHOHOOO−O−Mg2+
Carboxylic acidPhenol

Properties

Molecular formula
C14H10MgO6
Molar mass
298.53 g/mol
Exact mass
298.0328 Da
logP
-0.17Crippen estimate
Polar surface area
120.7 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
18917-89-0
SMILES
O=C(O)c1ccccc1O.O=C([O-])c1ccccc1[O-].[Mg+2]
InChIKey
MQHWFIOJQSCFNM-UHFFFAOYSA-L
InChI
InChI=1S/2C7H6O3.Mg/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2

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Names and synonyms

10 names
  • Magnesium, bis[2-(hydroxy-κO)benzoato-κO]-, (T-4)-
  • Magnesium, bis(salicylato)-
  • Magnesium salicylate
  • Magnesium, bis(2-hydroxybenzoato-O1,O2)-, (T-4)-
  • Magan
  • Magnesium bis(salicylate)
  • Salicylic acid, magnesium salt (2:1)
  • Benzoic acid, 2-hydroxy-, magnesium salt (2:1)
  • Bis(salicylato)magnesium
  • (T-4)-Bis(2-(hydroxy-kappaO)benzoato-kappaO)magnesium

Work with (T-4)-Bis[2-(hydroxy-κO)benzoato-κO]magnesium

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Magnesium, bis[2-(hydroxy-κO)benzoato-κO]-, hydrate (1:4), (T-4)-18917-95-8Hydrate Salicylic acid69-72-7Free acid Sodium salicylate54-21-7Salt Trolamine salicylate2174-16-5Salt Potassium salicylate578-36-9Salt Zinc salicylate16283-36-6Salt (-)-Physostigmine salicylate57-64-7Salt Diethylamine salicylate4419-92-5Salt Ammonium salicylate528-94-9Salt Bismuth subsalicylate14882-18-9Salt Lithium salicylate552-38-5Salt Lamivudine salicylate173522-96-8Salt

Similar compounds

Potassium phthalate29801-94-354 % similar Potassium hydrogen phthalate877-24-754 % similar Magnesium bis(monoperoxyphthalate) hexahydrate84665-66-747 % similar Salicylsalicylic acid552-94-347 % similar 2,3-Dihydroxybenzoic acid303-38-844 % similar 3-Hydroxyanthranilic acid548-93-642 % similar 3-Hydroxy-2-methylbenzoic acid603-80-542 % similar Phthalic acid88-99-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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