2,3,4,5-tetrahydro-1-benzothiepin-5-yl acetate
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2,3,4,5-tetrahydro-1-benzothiepin-5-yl acetate
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CAS No:
108757-47-7
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Formula:
C12H14O2S
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Chemical Name:
2,3,4,5-tetrahydro-1-benzothiepin-5-yl acetate
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Synonyms:
NSC403940;5-acetoxy-2,3,4,5-tetrahydro-benzo[b]thiepine;NSC-403940;108757-47-7
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CAS No:
2,3,4,5-tetrahydro-1-benzothiepin-5-yl acetate Basic Attributes
222.31 g/mol
222.07145086 g/mol
403940
Computed Properties
Molecular Weight:222.31
XLogP3:2.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:222.07145086
Monoisotopic Mass:222.07145086
Topological Polar Surface Area:51.6
Heavy Atom Count:15
Complexity:230
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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