CAS
91137-28-9 Purity
96%
91137-28-9 Purity
96%
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Specification
The molecular formula is C11H9NO3.
The molecular weight is 203.19 g/mol.
The IUPAC name is 4-methyl-2-phenyl-1,3-oxazole-5-carboxylic acid.
The Canonical SMILES is CC1=C(OC(=N1)C2=CC=CC=C2)C(=O)O.
The InChIKey is HRFYZRHGBICKAG-UHFFFAOYSA-N.
The CAS number is 91137-55-2.
It has 1 hydrogen bond donor count.
It has 4 hydrogen bond acceptor counts.
The topological polar surface area is 63.3 Ų.
Yes, the compound is canonicalized in PubChem.