1.0 2010-04-08 22:12:40 UTC 2015-07-20 23:32:58 UTC FDB016822 cis-3-Hexenyl anthranilate Flavouring ingredient for baked goods and candies (3Z)-3-Hexenyl 2-aminobenzoate (Z)-3-Hexenyl anthranilate (Z)-Hex-3-enyl anthranilate 1-(2-Aminobenzoate)(3Z)-3-hexen-1-ol 2-Aminobenzoate(3Z)-3-hexen-1-ol 2-Aminobenzoate(Z)-3-hexen-1-ol 2-Aminobenzoate(Z)-3-hexen-ol 3-Hexen-1-ol, 1-(2-aminobenzoate), (3Z)- 3-Hexen-1-ol, 2-aminobenzoate, (3Z)- 3-Hexen-1-ol, 2-aminobenzoate, (Z)- 3-Hexen-1-yl 2-aminobenzoate 3-Hexen-ol, 2-aminobenzoate, (Z)- cis-3-Hexenyl 2-aminobenzoate cis-3-Hexenyl anthranilate cis-Hex-3-enyl anthranilate FEMA 3925 C13H17NO2 219.2796 219.125928793 (3Z)-hex-3-en-1-yl 2-aminobenzoate (3Z)-hex-3-en-1-yl 2-aminobenzoate 65405-76-7 CC\C=C/CCOC(=O)C1=CC=CC=C1N InChI=1S/C13H17NO2/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9H,2,7,10,14H2,1H3/b4-3- VZWCCPAVZNSCEO-ARJAWSKDSA-N belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. Benzoic acid esters Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds Amino acids and derivatives Aminobenzoic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Organopnictogen compounds Primary amines Vinylogous amides Amine Amino acid or derivatives Aminobenzoic acid or derivatives Aniline or substituted anilines Aromatic homomonocyclic compound Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary amine Vinylogous amide logp 3.34 ALOGPS logs -3.04 ALOGPS solubility 2.02e-01 g/l ALOGPS logp 3.65 ChemAxon pka_strongest_acidic 19.4 ChemAxon pka_strongest_basic 2.18 ChemAxon iupac (3Z)-hex-3-en-1-yl 2-aminobenzoate ChemAxon average_mass 219.2796 ChemAxon mono_mass 219.125928793 ChemAxon smiles CC\C=C/CCOC(=O)C1=CC=CC=C1N ChemAxon formula C13H17NO2 ChemAxon inchi InChI=1S/C13H17NO2/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9H,2,7,10,14H2,1H3/b4-3- ChemAxon inchikey VZWCCPAVZNSCEO-ARJAWSKDSA-N ChemAxon polar_surface_area 52.32 ChemAxon refractivity 66.98 ChemAxon polarizability 24.86 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16033 Specdb::CMs 150650 Specdb::MsMs 95820 Specdb::MsMs 95821 Specdb::MsMs 95822 Specdb::MsMs 160170 Specdb::MsMs 160171 Specdb::MsMs 160172 Specdb::MsMs 2344508 Specdb::MsMs 2344509 Specdb::MsMs 2344510 Specdb::MsMs 2590801 Specdb::MsMs 2590802 Specdb::MsMs 2590803 HMDB37694 #<Reference:0x000055ac41255bf0> concord grape fruity green jasmin orange flower sweet