1,3,5,7-Adamantanetetracarboxylic acid

C14H16O8CAS 100884-80-8312.27 g/mol

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OHOOOHOHOOOH
Carboxylic acid

Properties

Molecular formula
C14H16O8
Molar mass
312.27 g/mol
Exact mass
312.0845 Da
Melting point
395 °C (decomposes)
logP
0.65Crippen estimate
Polar surface area
149.2 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
4

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
100884-80-8
SMILES
O=C(O)C12CC3(C(=O)O)CC(C(=O)O)(C1)CC(C(=O)O)(C2)C3
InChIKey
VWAIZPYLEYEEFK-UHFFFAOYSA-N
InChI
InChI=1S/C14H16O8/c15-7(16)11-1-12(8(17)18)4-13(2-11,9(19)20)6-14(3-11,5-12)10(21)22/h1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)

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Names and synonyms

1 names
  • Tricyclo[3.3.1.13,7]decane-1,3,5,7-tetracarboxylic acid

Work with 1,3,5,7-Adamantanetetracarboxylic 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

Bicyclo(1.1.1)pentane-1,3-dicarboxylic acid56842-95-6100 % similar Bicyclo(2.2.1)heptane-1,4-dicarboxylic acid15544-51-178 % similar Bicyclo[2.2.2]octane-1,4-dicarboxylic acid711-02-467 % similar 1,3-Adamantanedicarboxylic acid39269-10-861 % similar 3-(Methoxycarbonyl)bicyclo(1.1.1)pentane-1-carboxylic acid83249-10-960 % similar 3-Chloro-2,2-bis(chloromethyl)propanoic acid17831-70-857 % similar 1-Adamantanecarboxylic acid828-51-352 % similar Dimethylmalonic acid595-46-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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