5H-1,3-Dioxino[5,4-b]oxireno[d]pyridine-5-carboxylic acid, hexahydro-2-phenyl-, 1,1-dimethylethyl ester, [2R-(2α,4aα,6aβ,7aβ,7bβ)]-
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![5H-1,3-Dioxino[5,4-b]oxireno[d]pyridine-5-carboxylic acid, hexahydro-2-phenyl-, 1,1-dimethylethyl ester, [2R-(2α,4aα,6aβ,7aβ,7bβ)]- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e536c648a0e04003b9c002540598a7ae.png "5H-1,3-Dioxino[5,4-b]oxireno[d]pyridine-5-carboxylic acid, hexahydro-2-phenyl-, 1,1-dimethylethyl ester, [2R-(2α,4aα,6aβ,7aβ,7bβ)]-")
5H-1,3-Dioxino[5,4-b]oxireno[d]pyridine-5-carboxylic acid, hexahydro-2-phenyl-, 1,1-dimethylethyl ester, [2R-(2α,4aα,6aβ,7aβ,7bβ)]-
structure -
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CAS No:
133697-22-0
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Formula:
C18H23NO5
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Chemical Name:
5H-1,3-Dioxino[5,4-b]oxireno[d]pyridine-5-carboxylic acid, hexahydro-2-phenyl-, 1,1-dimethylethyl ester, [2R-(2α,4aα,6aβ,7aβ,7bβ)]-
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Synonyms:
5H-1,3-Dioxino[5,4-b]oxireno[d]pyridine-5-carboxylic acid,hexahydro-2-phenyl-,1,1-dimethylethyl ester,[2R-(2α,4aα,6aβ,7aβ,7bβ)]-
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CAS No:
5H-1,3-Dioxino[5,4-b]oxireno[d]pyridine-5-carboxylic acid, hexahydro-2-phenyl-, 1,1-dimethylethyl ester, [2R-(2α,4aα,6aβ,7aβ,7bβ)]- Basic Attributes
333.37892
333.38
DTXSID60675617
Characteristics
60.5 Ų
2.42520
1.222±0.06 g/cm3(Predicted)
130-131.5°C
456.6±45.0 °C(Predicted)
-20°C Freezer
Computed Properties
Molecular Weight:333.4
XLogP3:1.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:333.15762283
Monoisotopic Mass:333.15762283
Topological Polar Surface Area:60.5
Heavy Atom Count:24
Complexity:484
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5H-1,3-Dioxino[5,4-b]oxireno[d]pyridine-5-carboxylic acid, hexahydro-2-phenyl-, 1,1-dimethylethyl ester, [2R-(2α,4aα,6aβ,7aβ,7bβ)]-
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