1.0 2010-04-08 22:12:41 UTC 2015-07-20 23:33:28 UTC FDB016858 2-Furanylmethyl propanoate Flavouring ingredient 2-Furanmethanol, 2-propanoate 2-Furanmethanol, propanoate 2-Furanmethyl propanoate 2-Furanmethyl propionate 2-Furanylmethyl propanoate 2-furfuryl propanoate 2-Furylmethyl propionate FEMA 3346 Furfuryl alcohol propanoate Furfuryl alcohol, propionate Furfuryl alcohol, propionate (8CI) Furfuryl propanoate Furfuryl propionate C8H10O3 154.1632 154.062994186 furan-2-ylmethyl propanoate 2-furanmethanol, propanoate 623-19-8 CCC(=O)OCC1=CC=CO1 InChI=1S/C8H10O3/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3 LGBXNZSSTFWRFS-UHFFFAOYSA-N belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Heteroaromatic compounds Organic compounds Organoheterocyclic compounds Heteroaromatic compounds Aromatic heteromonocyclic compounds Carbonyl compounds Carboxylic acid esters Furans Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Aromatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Furan Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp 1.93 ALOGPS logs -1.34 ALOGPS solubility 7.07e+00 g/l ALOGPS logp 1.41 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac furan-2-ylmethyl propanoate ChemAxon average_mass 154.1632 ChemAxon mono_mass 154.062994186 ChemAxon smiles CCC(=O)OCC1=CC=CO1 ChemAxon formula C8H10O3 ChemAxon inchi InChI=1S/C8H10O3/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3 ChemAxon inchikey LGBXNZSSTFWRFS-UHFFFAOYSA-N ChemAxon polar_surface_area 39.44 ChemAxon refractivity 39.04 ChemAxon polarizability 16.01 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24492 Specdb::CMs 157030 Specdb::MsIr 7633 Specdb::MsIr 7634 Specdb::NmrOneD 22642 Specdb::NmrOneD 22643 Specdb::NmrOneD 22644 Specdb::NmrOneD 22645 Specdb::NmrOneD 22646 Specdb::NmrOneD 22647 Specdb::NmrOneD 22648 Specdb::NmrOneD 22649 Specdb::NmrOneD 22650 Specdb::NmrOneD 22651 Specdb::NmrOneD 22652 Specdb::NmrOneD 22653 Specdb::NmrOneD 22654 Specdb::NmrOneD 22655 Specdb::NmrOneD 22656 Specdb::NmrOneD 22657 Specdb::NmrOneD 22658 Specdb::NmrOneD 22659 Specdb::NmrOneD 22660 Specdb::NmrOneD 22661 Specdb::MsMs 72441 Specdb::MsMs 72442 Specdb::MsMs 72443 Specdb::MsMs 131367 Specdb::MsMs 131368 Specdb::MsMs 131369 Specdb::MsMs 2417683 Specdb::MsMs 2417684 Specdb::MsMs 2417685 Specdb::MsMs 2548030 Specdb::MsMs 2548031 Specdb::MsMs 2548032 HMDB37728 #<Reference:0x000055ce32ff7f48> banana coffee fruity green oily spicy sweet