1.0 2010-04-08 22:14:27 UTC 2019-11-26 03:17:41 UTC FDB019601 Synephrine acetonide Alkaloid from the seeds of Casimiroa edulis (Mexican apple). Synephrine acetonide is found in fruits. Synephrine acetonide C12H17NO2 207.2689 207.125928793 4-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)phenol 4-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)phenol 225928-85-8 CN1CC(OC1(C)C)C1=CC=C(O)C=C1 InChI=1S/C12H17NO2/c1-12(2)13(3)8-11(15-12)9-4-6-10(14)7-5-9/h4-7,11,14H,8H2,1-3H3 JJIWDWMLQCSXFB-UHFFFAOYSA-N belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position. 1-hydroxy-2-unsubstituted benzenoids Organic compounds Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids Aromatic heteromonocyclic compounds Azacyclic compounds Benzene and substituted derivatives Hemiaminals Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Oxacyclic compounds Oxazolidines 1-hydroxy-2-unsubstituted benzenoid Aromatic heteromonocyclic compound Azacycle Hemiaminal Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxazolidine logp 1.93 ALOGPS logs -0.78 ALOGPS solubility 3.41e+01 g/l ALOGPS logp 2.04 ChemAxon pka_strongest_acidic 9.47 ChemAxon pka_strongest_basic 6.01 ChemAxon iupac 4-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)phenol ChemAxon average_mass 207.2689 ChemAxon mono_mass 207.125928793 ChemAxon smiles CN1CC(OC1(C)C)C1=CC=C(O)C=C1 ChemAxon formula C12H17NO2 ChemAxon inchi InChI=1S/C12H17NO2/c1-12(2)13(3)8-11(15-12)9-4-6-10(14)7-5-9/h4-7,11,14H,8H2,1-3H3 ChemAxon inchikey JJIWDWMLQCSXFB-UHFFFAOYSA-N ChemAxon polar_surface_area 32.7 ChemAxon refractivity 60 ChemAxon polarizability 23.28 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16293 Specdb::CMs 46650 Specdb::CMs 132489 Specdb::CMs 140223 Specdb::NmrOneD 37062 Specdb::NmrOneD 37063 Specdb::NmrOneD 37064 Specdb::NmrOneD 37065 Specdb::NmrOneD 37066 Specdb::NmrOneD 37067 Specdb::NmrOneD 37068 Specdb::NmrOneD 37069 Specdb::NmrOneD 37070 Specdb::NmrOneD 37071 Specdb::NmrOneD 37072 Specdb::NmrOneD 37073 Specdb::NmrOneD 37074 Specdb::NmrOneD 37075 Specdb::NmrOneD 37076 Specdb::NmrOneD 37077 Specdb::NmrOneD 37078 Specdb::NmrOneD 37079 Specdb::NmrOneD 37080 Specdb::NmrOneD 37081 Specdb::MsIr 8401 Specdb::MsIr 8402 Specdb::MsIr 8403 Specdb::MsMs 82905 Specdb::MsMs 82906 Specdb::MsMs 82907 Specdb::MsMs 144393 Specdb::MsMs 144394 Specdb::MsMs 144395 Specdb::MsMs 2685450 Specdb::MsMs 2685451 Specdb::MsMs 2685452 Specdb::MsMs 3023637 Specdb::MsMs 3023638 Specdb::MsMs 3023639 HMDB39939 #<Reference:0x000055ce307538f8> Fruits Unknown generic