(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid
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(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid
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CAS No:
1164101-90-9
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Formula:
C12H15NO6S
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Chemical Name:
(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid
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Synonyms:
(2S)-2-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-7-SULFONAMIDO)PROPANOIC ACID;ZINC3374948;MCULE-9221864390;EN300-87626;J-507577;1164101-90-9
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CAS No:
(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid Basic Attributes
301.32 g/mol
301.06200837 g/mol
Computed Properties
Molecular Weight:301.32
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:301.06200837
Monoisotopic Mass:301.06200837
Topological Polar Surface Area:110
Heavy Atom Count:20
Complexity:445
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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