3-Methyl-5-phenylisoxazole-4-carboxylic acid
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3-Methyl-5-phenylisoxazole-4-carboxylic acid
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CAS No:
17153-21-8
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Formula:
C11H9NO3
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Chemical Name:
3-Methyl-5-phenylisoxazole-4-carboxylic acid
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Synonyms:
4-Isoxazolecarboxylic acid,3-methyl-5-phenyl-;3-Methyl-5-phenyl-4-isoxazolecarboxylic acid;3-Methyl-5-phenylisoxazole-4-carboxylic acid;3-Methyl-5-phenyl-1,2-oxazole-4-carboxylic acid
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CAS No:
3-Methyl-5-phenylisoxazole-4-carboxylic acid Basic Attributes
203.19400
203.19
DTXSID90380146
2934999090
Safety Information
R36/37/38
S26-S37/39
Xi
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, 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:203.19
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:203.058243149
Monoisotopic Mass:203.058243149
Topological Polar Surface Area:63.3
Heavy Atom Count:15
Complexity:238
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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