API0232487
Sodium Phenylbutyrate
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CAS No.
1716-12-7
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Synonyms
SODIUM PHENYLBUTYRATE; 1716-12-7; sodium 4-phenylbutanoate
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CHEMBL ID
CHEMBL1746
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Molecule Type
Small molecule
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Compound CID
5258
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Molecular Weight (g/mol)
186.18
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Molecular Formula
C10H11NaO2
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InChI
InChI=1S/C10H12O2.Na/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8H2,(H,11,12);/q;+1/p-1
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InChIKey
VPZRWNZGLKXFOE-UHFFFAOYSA-M
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SMILES
C1=CC=C(C=C1)CCCC(=O)[O-].[Na+]
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IUPAC Name
sodium;4-phenylbutanoate
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Exact Mass (Da)
186.06567387
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Monoisotopic Mass (Da)
186.06567387
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