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The molecular formula is C12H13NO4.
The synonyms are 959038-90-5 and Isoxazole-4-carboxylic acid, 3-(3-methoxybenzyl)-4,5-dihydro-.
The molecular weight is 235.24 g/mol.
The IUPAC name is 3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-4-carboxylic acid.
The InChI is InChI=1S/C12H13NO4/c1-16-9-4-2-3-8(5-9)6-11-10(12(14)15)7-17-13-11/h2-5,10H,6-7H2,1H3,(H,14,15).
The InChIKey is HFADDMXWPKCRRJ-UHFFFAOYSA-N.
The canonical SMILES is COC1=CC=CC(=C1)CC2=NOCC2C(=O)O.
The XLogP3-AA value is 1.5.
There is 1 hydrogen bond donor count.
There are 5 hydrogen bond acceptor counts.
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