68922-44-1 Purity
98 atom % D
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Specification
The molecular formula is C10H16O.
The synonyms are (E)-Myroxide, (E)-beta-Ocimene epoxide, X9NWB0464E, 28977-57-3, and UNII-X9NWB0464E.
The molecular weight is 152.23 g/mol.
It was created on May 4, 2006, and last modified on October 21, 2023.
It is a natural product found in Artemisia absinthium and Artemisia arborescens.
The IUPAC name is 2,2-dimethyl-3-[(2E)-3-methylpenta-2,4-dienyl]oxirane.
The InChI is InChI=1S/C10H16O/c1-5-8(2)6-7-9-10(3,4)11-9/h5-6,9H,1,7H2,2-4H3/b8-6+.
The InChIKey is LIMXJCIGROLRED-SOFGYWHQSA-N.
The other identifiers include CAS number 28977-57-3, UNII X9NWB0464E, and DSSTox Substance ID DTXSID801321403.
The properties include a molecular weight of 152.23 g/mol, XLogP3-AA value of 2.9, no hydrogen bond donor count, 1 hydrogen bond acceptor count, 3 rotatable bond count, exact mass of 152.120115130 g/mol, topological polar surface area of 12.5Ų, 11 heavy atom count, and a formal charge of 0.