QXU

1-[(2~{S},3~{R})-3-phenyloxiran-2-yl]ethanone

Created:	2022-11-16
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	2
Bond Count	23
Aromatic Bond Count	6

2D diagram of QXU

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Chemical Component Summary
Name	1-[(2~{S},3~{R})-3-phenyloxiran-2-yl]ethanone
Systematic Name (OpenEye OEToolkits)	1-[(2~{S},3~{R})-3-phenyloxiran-2-yl]ethanone
Formula	C₁₀ H₁₀ O₂
Molecular Weight	162.185
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)[CH]1O[CH]1c2ccccc2
SMILES	OpenEye OEToolkits	3.1.0.0	CC(=O)C1C(O1)c2ccccc2
Canonical SMILES	CACTVS	3.385	CC(=O)[C@H]1O[C@@H]1c2ccccc2
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CC(=O)[C@@H]1[C@H](O1)c2ccccc2
InChI	InChI	1.06	InChI=1S/C10H10O2/c1-7(11)9-10(12-9)8-5-3-2-4-6-8/h2-6,9-10H,1H3/t9-,10-/m1/s1
InChIKey	InChI	1.06	IGCQIHCZUYCYAA-NXEZZACHSA-N

Related Resource References

Resource Name	Reference
PubChem	10855785

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