2-acetyl-1,3-thiazole-4-carboxylic acid
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2-acetyl-1,3-thiazole-4-carboxylic acid
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CAS No:
13139-47-4
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Formula:
C6H5NO3S
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Chemical Name:
2-acetyl-1,3-thiazole-4-carboxylic acid
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Synonyms:
2-Acetylthiazole-4-carboxylicacid; 2-Acetylthiazol-4-carbonsaeure; 4-Thiazolecarboxylic acid,2-acetyl; 2-Atca;
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CAS No:
2-acetyl-1,3-thiazole-4-carboxylic acid Basic Attributes
171.17400
170.99901420 g/mol
DTXSID80157021
2934100090
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:171.18
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:170.99901420
Monoisotopic Mass:170.99901420
Topological Polar Surface Area:95.5
Heavy Atom Count:11
Complexity:194
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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