[2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2,2-dimethylpropanoate
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![[2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2,2-dimethylpropanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c2a0e5f0f7ab4236aa0fcde9116cd3f4.png "[2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2,2-dimethylpropanoate")
[2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2,2-dimethylpropanoate
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CAS No:
325724-29-6
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Formula:
C17H19NO5S
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Chemical Name:
[2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2,2-dimethylpropanoate
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Synonyms:
Oprea1_641296;ZINC3216882;AKOS034452371;MCULE-6067351168;SR-01000026775;SR-01000026775-1;Z56771808;2-[(2-nitrophenyl)sulfanyl]-3-oxocyclohex-1-en-1-yl 2,2-dimethylpropanoate;325724-29-6
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CAS No:
[2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2,2-dimethylpropanoate Basic Attributes
349.4 g/mol
349.09839388 g/mol
Computed Properties
Molecular Weight:349.4
XLogP3:3.9
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:349.09839388
Monoisotopic Mass:349.09839388
Topological Polar Surface Area:115
Heavy Atom Count:24
Complexity:558
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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