1.0 2010-04-08 22:10:34 UTC 2025-11-18 23:42:07 UTC FDB013191 (±)-2-Hydroxy-2-phenylacetonitrile Isolated from peach kernels (Prunus persica). (±)-2-Hydroxy-2-phenylacetonitrile is found in fruits. C8H7NO 133.1473 133.052763851 2-hydroxy-2-phenylacetonitrile mandelonitrile 613-88-7 OC(C#N)C1=CC=CC=C1 InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H NNICRUQPODTGRU-UHFFFAOYSA-N belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Benzene and substituted derivatives Organic compounds Benzenoids Benzene and substituted derivatives Aromatic homomonocyclic compounds Alpha-hydroxynitriles Aromatic alcohols Cyanohydrins Hydrocarbon derivatives Organopnictogen compounds Secondary alcohols Alcohol Alpha-hydroxynitrile Aromatic alcohol Aromatic homomonocyclic compound Carbonitrile Cyanohydrin Hydrocarbon derivative Monocyclic benzene moiety Nitrile Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary alcohol cyanohydrin mandelonitrile liquid logp 0.68 ALOGPS logs -1.35 ALOGPS solubility 5.89e+00 g/l ALOGPS melting_point Mp 21.5-22° logp 0.95 ChemAxon pka_strongest_acidic 11.8 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2-hydroxy-2-phenylacetonitrile ChemAxon average_mass 133.1473 ChemAxon mono_mass 133.052763851 ChemAxon smiles OC(C#N)C1=CC=CC=C1 ChemAxon formula C8H7NO ChemAxon inchi InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H ChemAxon inchikey NNICRUQPODTGRU-UHFFFAOYSA-N ChemAxon polar_surface_area 44.02 ChemAxon refractivity 37.68 ChemAxon polarizability 13.55 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2482 Specdb::CMs 31864 Specdb::CMs 43981 Specdb::CMs 101650 Specdb::CMs 151988 Specdb::MsIr 6653 Specdb::MsIr 6654 Specdb::MsIr 6655 Specdb::EiMs 1322 Specdb::NmrOneD 2445 Specdb::NmrOneD 3133 Specdb::NmrOneD 127038 Specdb::NmrOneD 127039 Specdb::NmrOneD 127040 Specdb::NmrOneD 127041 Specdb::NmrOneD 127042 Specdb::NmrOneD 127043 Specdb::NmrOneD 127044 Specdb::NmrOneD 127045 Specdb::NmrOneD 127046 Specdb::NmrOneD 127047 Specdb::NmrOneD 127048 Specdb::NmrOneD 127049 Specdb::NmrOneD 127050 Specdb::NmrOneD 127051 Specdb::NmrOneD 127052 Specdb::NmrOneD 127053 Specdb::NmrOneD 127054 Specdb::NmrOneD 127055 Specdb::NmrOneD 127056 Specdb::NmrOneD 127057 Specdb::MsMs 98703 Specdb::MsMs 98704 Specdb::MsMs 98705 Specdb::MsMs 163674 Specdb::MsMs 163675 Specdb::MsMs 163676 Specdb::MsMs 2459098 Specdb::MsMs 2459099 Specdb::MsMs 2459100 Specdb::MsMs 2476931 Specdb::MsMs 2476932 Specdb::MsMs 2476933 HMDB0034666 Fruits Unknown generic