CHEBI:189864 - 3-hydroxy-3-phenylpropionitrile

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ChEBI Name 3-hydroxy-3-phenylpropionitrile ChEBI ID CHEBI:189864 Definition A nitrile that is 3-phenylpropionitrile in which one of the methylene hydrogens at position 3 is replaced by a hydroxy group. Stars This entity has been manually annotated by the ChEBI Team. Submitter Johannes Hunold (ORCID: 0000-0002-4378-6061) Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H9NO Net Charge 0 Average Mass 147.177 Monoisotopic Mass 147.06841 InChI InChI=1S/C9H9NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6H2 InChIKey HILDHWAXSORHRZ-UHFFFAOYSA-N SMILES OC(CC#N)C1=CC=CC=C1 ChEBI Ontology Outgoing 3-hydroxy-3-phenylpropionitrile (CHEBI:189864) has functional parent 3-phenylpropionitrile (CHEBI:85426) 3-hydroxy-3-phenylpropionitrile (CHEBI:189864) is a benzyl alcohols (CHEBI:22743) 3-hydroxy-3-phenylpropionitrile (CHEBI:189864) is a nitrile (CHEBI:18379) 3-hydroxy-3-phenylpropionitrile (CHEBI:189864) is a secondary alcohol (CHEBI:35681) IUPAC Name 3-hydroxy-3-phenylpropanenitrile Synonyms Sources 3-phenyl-3-hydroxypropanenitrile ChEBI 3-phenyl-3-hydroxypropionitrile ChEBI 3-phenyl-hydracrylonitrile NIST Chemistry WebBook β-hydroxy-benzenepropanenitrile SUBMITTER β-hydroxybenzenepropanenitrile ChemIDplus Manual Xrefs Databases 78037 ChemSpider WO02057475 Patent View more database links Registry Numbers Types Sources 17190-29-3 CAS Registry Number NIST Chemistry WebBook 17190-29-3 CAS Registry Number ChemIDplus Citations Types Sources 14666389 PubMed citation Europe PMC 15664823 PubMed citation Europe PMC Last Modified 28 March 2022