4-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid
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![4-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a3ac2c35fe4b4619aebdc1346f9fb5ca.png "4-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid")
4-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid
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CAS No:
728902-24-7
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Formula:
C16H13N3O3S
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Chemical Name:
4-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid
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Synonyms:
AKOS034412210;MCULE-6110379517;Z49903797;4-[({5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}imino)methyl]benzoic acid;728902-24-7
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CAS No:
4-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid Basic Attributes
327.4 g/mol
327.06776246 g/mol
Computed Properties
Molecular Weight:327.4
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:327.06776246
Monoisotopic Mass:327.06776246
Topological Polar Surface Area:111
Heavy Atom Count:23
Complexity:543
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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