Oxiranecarboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]-, (R)-

HCID 9817751

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Basic information

CAS: 124083-14-3
Standard SMILES: O=C(O)[C@@]1(CCCCCCOc2ccc(Cl)cc2)CO1
InChIKey: NWSIRTXVYBEURF-OAHLLOKOSA-N
Molecular formula: C15H19ClO4
Average molar mass: 298.76 g/mol
Monoisotopic mass: 298.0971868

Names & identifiers

Preferred name: Oxiranecarboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]-, (R)-
IUPAC: (2R)-2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylic acid

Names & synonyms

124083-14-3Etomoxir free acidOxiranecarboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]-, (R)-5HH4PR8XLD(R)-2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid(2R)-2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylic acid(2R)-2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acidOxiranecarboxylic acid, 2-(6-(4-chlorophenoxy)hexyl)-, (R)-UNII-5HH4PR8XLDSCHEMBL10436373SB75312FE175064

Database identifiers

CAS: 124083-14-3
PubChem CID: 9817751
UNII: 5HH4PR8XLD

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 59.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 9
Heavy atoms: 20
Formal charge: 0
Complexity: 315

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