but-2-enedioic acid, 4-(7,8-dioxa-3-azabicyclo[3.2.1]oct-1-yl)benzonit rile
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![but-2-enedioic acid, 4-(7,8-dioxa-3-azabicyclo[3.2.1]oct-1-yl)benzonit rile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b0e0d5a2e84d47139805aaa54ea4efda.png "but-2-enedioic acid, 4-(7,8-dioxa-3-azabicyclo[3.2.1]oct-1-yl)benzonit rile")
but-2-enedioic acid, 4-(7,8-dioxa-3-azabicyclo[3.2.1]oct-1-yl)benzonit rile
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CAS No:
84509-14-8
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Formula:
C16H16N2O6
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Chemical Name:
but-2-enedioic acid, 4-(7,8-dioxa-3-azabicyclo[3.2.1]oct-1-yl)benzonit rile
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Synonyms:
CTK3E9160
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CAS No:
but-2-enedioic acid, 4-(7,8-dioxa-3-azabicyclo[3.2.1]oct-1-yl)benzonit rile Basic Attributes
332.31
332.100836
Computed Properties
Molecular Weight:332.31
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:332.10083623
Monoisotopic Mass:332.10083623
Topological Polar Surface Area:129
Heavy Atom Count:24
Complexity:435
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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