4-(3-oxo-1,2-benzothiazol-2-yl)butanoic acid
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4-(3-oxo-1,2-benzothiazol-2-yl)butanoic acid
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CAS No:
89139-50-4
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Formula:
C11H11NO3S
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Chemical Name:
4-(3-oxo-1,2-benzothiazol-2-yl)butanoic acid
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Synonyms:
89139-50-4;1,2-Benzisothiazole-2(3H)-butanoic acid, 3-oxo-;4-(3-oxo-1,2-benzothiazol-2-yl)butanoic acid;4-(3-oxobenzo[d]isothiazol-2(3H)-yl)butanoic acid;4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanoic acid;ACMC-20li7r;CHEMBL3621673;DTXSID30332745;ZINC6583570;BBL032056;MFCD11868503;STK943042;AKOS004911493;CCG-200118;MCULE-6897975982;VS-10950;SR-01000143920;SR-01000143920-1;Butyric acid, 4-(3-oxo-3H-benzo[d]isothiazol-2-yl)-;4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanoic acid;4-[(2,3-Dihydro-3-oxo-1,2-benzisothiazol)-2-yl]butanoic acid
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CAS No:
4-(3-oxo-1,2-benzothiazol-2-yl)butanoic acid Basic Attributes
237.28 g/mol
237.04596439 g/mol
DTXSID30332745
Safety Information
|Warning|H302 (100%): 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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:237.28
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:237.04596439
Monoisotopic Mass:237.04596439
Topological Polar Surface Area:82.9
Heavy Atom Count:16
Complexity:295
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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