1.0 2010-04-08 22:04:48 UTC 2019-11-26 02:55:46 UTC FDB001015 Methyl nicotinate Methyl nicotinate is a flavouring ingredient. It is found in guava, papaya, strawberry, soursop (Annona muricata), beer, grape brandy, coffee, roasted filbert, roasted peanut and Bourbon vanilla. 3-(Carbomethoxy)pyridine 3-(Methoxycarbonyl)pyridine 3-Carbomethoxypyridine 3-Pyridinecarboxylic acid, methyl ester 3PyrCOOMe FEMA 3709 Heat spray m-(Methoxycarbonyl)pyridine Methyl 3-pyridinecarboxylate Methyl ester OF pyridine-3-carboxylic acid Methyl nicotinate Methyl-nicotinate Nicometh Nicotinic acid methyl ester Nicotinic acid, methyl ester Nikomet C7H7NO2 137.136 137.047678473 methyl pyridine-3-carboxylate heat spray 93-60-7 COC(=O)C1=CN=CC=C1 InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3 YNBADRVTZLEFNH-UHFFFAOYSA-N belongs to the class of organic compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group. Pyridinecarboxylic acids Organic compounds Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Carboxylic acid derivative Carboxylic acid ester Heteroaromatic compound Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridine carboxylic acid Solid logp 0.45 ALOGPS logs 0.15 ALOGPS solubility 1.93e+02 g/l ALOGPS melting_point Mp 38° logp 0.76 ChemAxon pka_strongest_basic 3.24 ChemAxon iupac methyl pyridine-3-carboxylate ChemAxon average_mass 137.136 ChemAxon mono_mass 137.047678473 ChemAxon smiles COC(=O)C1=CN=CC=C1 ChemAxon formula C7H7NO2 ChemAxon inchi InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3 ChemAxon inchikey YNBADRVTZLEFNH-UHFFFAOYSA-N ChemAxon polar_surface_area 39.19 ChemAxon refractivity 35.93 ChemAxon polarizability 13.23 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16292 Specdb::CMs 27737 Specdb::CMs 100468 Specdb::CMs 153306 Specdb::MsIr 3711 Specdb::MsIr 3712 Specdb::MsMs 12815 Specdb::MsMs 12816 Specdb::MsMs 12817 Specdb::MsMs 19487 Specdb::MsMs 19488 Specdb::MsMs 19489 Specdb::MsMs 2226257 Specdb::MsMs 2228433 Specdb::MsMs 2228687 Specdb::MsMs 2230772 Specdb::MsMs 2230967 Specdb::MsMs 2233214 Specdb::MsMs 2835069 Specdb::MsMs 2835070 Specdb::MsMs 2835071 Specdb::MsMs 2870834 Specdb::MsMs 2870835 Specdb::MsMs 2870836 HMDB29806 #<Reference:0x000055ce2f43b720> #<Reference:0x000055ce2f43b220> Alcoholic beverages Unknown generic Arabica coffee Type 1 specific Coffea arabica 13443 Beer Type 2 specific 0.0 0.0 0.0 mg/100 g Coffee and coffee products Unknown generic Fruits Unknown generic Nuts Unknown generic Papaya Type 1 specific Carica papaya 3649 Robusta coffee Type 1 specific Coffea canephora 49390 herbal tobacco warm