2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetic acid
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![2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9077add1bb7244589fa970abc0e97152.png "2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetic acid")
2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetic acid
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CAS No:
61220-69-7
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Formula:
C16H12O3S
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Chemical Name:
2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetic acid
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Synonyms:
tiopinac;tiopinac sodium salt;TIOPINAC;61220-69-7;UNII-1QX5LNW7CG;1QX5LNW7CG;CHEMBL75245;RS 40974;RS-40974-00-00-0;Tiopinacum;2-(11-oxo-6,11-dihydrodibenzo[b,e]thiepin-3-yl)acetic acid;Tiopinaco;Tiopinacum [INN-Latin];Tiopinaco [INN-Spanish];Tiopinac [USAN:INN:BAN];2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetic acid;Tiopinac (USAN/INN);SCHEMBL38905;ZINC2179;6,11-Dihydro-11-oxodibenzo(b,e)thiepin-3-acetic acid;DTXSID80210140;BDBM50022274;HY-U00063;CS-6753;D06156;Q27252768;Dibenzo(b,e)thiepin-3-acetic acid, 6,11-dihydro-11-oxo-;(5-Oxo-5,11-dihydro-10-thia-dibenzo[a,d]cyclohepten-8-yl)-acetic acid
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CAS No:
2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetic acid Basic Attributes
284.3 g/mol
284.05071541 g/mol
1QX5LNW7CG
DTXSID80210140
Computed Properties
Molecular Weight:284.3
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:284.05071541
Monoisotopic Mass:284.05071541
Topological Polar Surface Area:79.7
Heavy Atom Count:20
Complexity:395
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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