2-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)acetic acid
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2-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)acetic acid
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CAS No:
17547-79-4
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Formula:
C11H11NO3S
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Chemical Name:
2-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)acetic acid
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Synonyms:
17547-79-4;(4-Oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl)acetic acid;2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl)acetic acid;Benzo[b]perhydrothiazepin-4-one-3-acetic acid;CHEMBL4281595;DTXSID30342288;1,5-Benzothiazepine-3-aceticacid, 2,3,4,5-tetrahydro-4-oxo-;2-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)acetic acid;ALBB-019271;5862AD;MFCD01416244;SBB098806;AKOS004912158;MCULE-5955366553;PS-3918;DB-065103;FT-0708805;AI-204/31719028;2-(4-oxo-2H,3H,5H-benzo[b]1,4-thiazepin-3-yl)acetic acid;4-Oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-3-acetic acid;(4-Oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl)acetic acid #;1,5-benzothiazepine-3-acetic acid, 2,3,4,5-tetrahydro-4-oxo-;2-(4-Oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl)acetic acid;(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl)acetic acid, AldrichCPR
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CAS No:
2-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)acetic acid Basic Attributes
237.28 g/mol
237.04596439 g/mol
DTXSID30342288
Computed Properties
Molecular Weight:237.28
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:237.04596439
Monoisotopic Mass:237.04596439
Topological Polar Surface Area:91.7
Heavy Atom Count:16
Complexity:295
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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