1,3-BENZOXAZOLE-5-CARBOXYLIC ACID
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1,3-BENZOXAZOLE-5-CARBOXYLIC ACID
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CAS No:
15112-41-1
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Formula:
C8H5NO3
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Chemical Name:
1,3-BENZOXAZOLE-5-CARBOXYLIC ACID
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Synonyms:
1,3-BENZOXAZOLE-5-CARBOXYLIC ACID;OTAVA-BB 1023215;Benzoxazole-5-carboxylic Acid;Benzo[d]oxazole-5-carboxylic acid;5-Benzoxazolecarboxylic acid
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CAS No:
1,3-BENZOXAZOLE-5-CARBOXYLIC ACID Use and Manufacturing
benzooxazol-5-carboxylic acid: A mixture of 3-amino-4-hydroxybenzoic acid (500 mg, 3.26 mmol) and trimethyl orthoformate (5 mL) was heated at 65° C. for 2 h under argon. The reaction mixture was cooled to room temperature, filtered and washed with hexanes. The filtrate was concentrated in vacuo to afford the product as a white solid (78 mg, 15percent): A mixture of 3-amino-4-hydroxybenzoic acid (8.0 g, 1.0 eq) and 60 mL CH(OEt)
Computed Properties
Molecular Weight:163.13
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:163.026943022
Monoisotopic Mass:163.026943022
Topological Polar Surface Area:63.3
Heavy Atom Count:12
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,3-BENZOXAZOLE-5-CARBOXYLIC ACID
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