4-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)benzoic acid
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![4-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5009d43a75ab414daea02e2e931626e0.png "4-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)benzoic acid")
4-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)benzoic acid
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CAS No:
744204-83-9
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Formula:
C19H12N2O3S
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Chemical Name:
4-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)benzoic acid
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Synonyms:
4-{4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}benzoic acid;MLS000761510;SMR000371612;4-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)benzoic acid;744204-83-9;4-(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)benzoic acid;CHEMBL1412738;BDBM76594;cid_2095906;HMS2742A17;ZINC2633425;STL307558;AKOS000117442;MCULE-5429273002;NE57970;ST50134690;EN300-09514;Z55164404;4-(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)benzoic acid;4-(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)benzoic acid;4-(4-oxo-5-phenyl-3-hydrothiopheno[2,3-d]pyrimidin-2-yl)benzoic acid
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CAS No:
4-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)benzoic acid Basic Attributes
348.4 g/mol
348.05686342 g/mol
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:348.4
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:348.05686342
Monoisotopic Mass:348.05686342
Topological Polar Surface Area:107
Heavy Atom Count:25
Complexity:565
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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