CAS
93874-11-4 Purity
96%
93874-11-4 Purity
96%
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The molecular formula is C10H12O2.
The molecular weight is 164.20 g/mol.
The IUPAC name is (2R)-2-phenylbutanoic acid.
The InChI is InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)/t9-/m1/s1.
The InChIKey is OFJWFSNDPCAWDK-SECBINFHSA-N.
The canonical SMILES is CCC(C1=CC=CC=C1)C(=O)O.
The isomeric SMILES is CC[C@H](C1=CC=CC=C1)C(=O)O.
The CAS number is 938-79-4.
The European Community (EC) number is 618-983-5.
Yes, it is a canonicalized compound.