2-Oxiranecarboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]-, sodium salt (1:1), (2R)-

C15H18ClNaO4CAS 828934-41-4320.74 g/mol

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O−OOClONa+
Aryl halideCarboxylic acidEpoxideEther

Properties

Molecular formula
C15H18ClNaO4
Molar mass
320.74 g/mol
Exact mass
320.0791 Da
logP
3.14Crippen estimate
Polar surface area
59.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
9
Stereocentres
Rin SMILES atom order

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
828934-41-4
SMILES
[O-]C(=O)[C@@]1(CCCCCCOc2ccc(Cl)cc2)CO1.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

1 names
  • Oxiranecarboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]-, sodium salt, (2R)-

Work with 2-Oxiranecarboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]-, sodium salt (1:1), (2R)-

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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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