CAS
949161-14-2 Purity
96%
949161-14-2 Purity
96%
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Specification
The molecular formula is C12H13NO.
The molecular weight is 187.24 g/mol.
The IUPAC name is 1-benzyl-2H-pyridin-5-ol.
The InChI is InChI=1S/C12H13NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-7,10,14H,8-9H2.
The InChIKey is IAHKLXMBKSNBOM-UHFFFAOYSA-N.
The canonical SMILES is C1C=CC(=CN1CC2=CC=CC=C2)O.
The XLogP3-AA value is 2.1.
There is 1 hydrogen bond donor count.
There are 2 hydrogen bond acceptor counts.
There are 2 rotatable bond counts.