CAS
94571-97-8 Purity
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94571-97-8 Purity
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Specification
The molecular formula is C16H18N2O2.
The molecular weight is 270.33 g/mol.
The IUPAC name is 4-[5-(4-hydroxyphenyl)piperazin-2-yl]phenol.
The InChI is InChI=1S/C16H18N2O2/c19-13-5-1-11(2-6-13)15-9-18-16(10-17-15)12-3-7-14(20)8-4-12/h1-8,15-20H,9-10H2.
The InChIKey is FPPBMXVCCCEYJD-UHFFFAOYSA-N.
The canonical SMILES is C1C(NCC(N1)C2=CC=C(C=C2)O)C3=CC=C(C=C3)O.
The CAS number is 93019-46-6.
The UNII is E0VE85E2T9.
The XLogP3-AA value is 1.5.
Yes, it is canonicalized according to PubChem.