1,3,5-Cyclohexanetriol

C₆H₁₂O₃CAS 2041-15-8132.16 g/mol

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Properties

Molecular formula: C₆H₁₂O₃
Molar mass: 132.16 g/mol
Exact mass: 132.0786 Da
Melting point: 245 °C
logP: -0.75Crippen estimate
Polar surface area: 60.7 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 0

Identifiers

CAS number

2041-15-8

SMILES

OC1CC(O)CC(O)C1

InChIKey

FSDSKERRNURGGO-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O3/c7-4-1-5(8)3-6(9)2-4/h4-9H,1-3H2

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Names and synonyms

2 names

Phloroglucitol
NSC 25143

Work with 1,3,5-Cyclohexanetriol

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

1,3-Cyclohexanediol504-01-857 % similar 2,6-Dimethyl-4-heptanol108-82-753 % similar Cyclopropanol16545-68-950 % similar 3,5-Dimethylcyclohexanol5441-52-150 % similar 1,4-Cyclohexanediol556-48-950 % similar 1,3-Diamino-2-propanol616-29-550 % similar trans-1,4-Cyclohexanediol6995-79-550 % similar 3-Aminocyclobutanol hydrochloride1036260-25-947 % similar

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

Same formula

Solketal100-79-8 2,5-Bis[hydroxymethyl]tetrahydrofuran104-80-3 tert-Butyl peroxyacetate107-71-1 Propylene glycol methyl ether acetate108-65-6 2-Ethoxyethyl acetate111-15-9 3-(Allyloxy)-1,2-propanediol123-34-2 Paraldehyde123-63-7 tert-Butoxy acetic acid13211-32-0

Elsewhere

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