1-Phenyl-2-oxo-3-oxabicyclo[3.1.0]hexane
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![1-Phenyl-2-oxo-3-oxabicyclo[3.1.0]hexane structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a1867ded6b5b421a918e2b84cba7de40.png "1-Phenyl-2-oxo-3-oxabicyclo[3.1.0]hexane")
1-Phenyl-2-oxo-3-oxabicyclo[3.1.0]hexane
structure -
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CAS No:
63106-93-4
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Formula:
C11H10O2
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Chemical Name:
1-Phenyl-2-oxo-3-oxabicyclo[3.1.0]hexane
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Synonyms:
3-Oxabicyclo[3.1.0]hexan-2-one,1-phenyl-;1-Phenyl-3-oxabicyclo[3.1.0]hexan-2-one;1-Phenyl-2-oxo-3-oxabicyclo[3.1.0]hexane;96847-75-5
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CAS No:
Description
Intermediate in the synthesis of Milnacipran an antidepressant. A selective norepinephrine and serotonin reuptake inhibitor approved for the management of fibromyalgia.
1-Phenyl-2-oxo-3-oxabicyclo[3.1.0]hexane Basic Attributes
174.19600
174.20
613-140-8|922-915-2
2932209090
Safety Information
|Warning|H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:174.20
XLogP3:1.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:174.068079557
Monoisotopic Mass:174.068079557
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:243
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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