1.0 2010-04-08 22:11:06 UTC 2018-05-28 18:53:10 UTC FDB014141 (E)-2-Heptenoic acid Flavouring ingredient (2E)-2-Heptenoic acid (2E)-Hept-2-enoic acid (e)-2-Heptenoate (e)-Hept-2-enoate (E)-Hept-2-enoic acid 2-Heptenoic acid, (E)- 2-Heptenoic acid, trans- 7:1, N-5 trans alpha-Heptenoic acid C7:1, N-5 trans FEMA 3920 Hept-2t-enoate Hept-2t-enoic acid Hept-2t-ensaeure trans-2-Heptenoic acid trans-acide heptene-2-oique trans-Hept-2-enoate trans-Hept-2-enoic acid trans-Hept-2-ensaeure C7H12O2 128.169 128.083729628 (2E)-hept-2-enoic acid (E)-2-heptenoic acid 18999-28-5 CCCC\C=C\C(O)=O InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/b6-5+ YURNCBVQZBJDAJ-AATRIKPKSA-N belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Medium-chain fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Straight chain fatty acids Unsaturated fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Unsaturated fatty acid 2-heptenoic acid Unsaturated fatty acids liquid logp 2.41 ALOGPS logs -1.91 ALOGPS solubility 1.59e+00 g/l ALOGPS melting_point Mp -12--11° logp 2.25 ChemAxon pka_strongest_acidic 5.2 ChemAxon iupac (2E)-hept-2-enoic acid ChemAxon average_mass 128.169 ChemAxon mono_mass 128.083729628 ChemAxon smiles CCCC\C=C\C(O)=O ChemAxon formula C7H12O2 ChemAxon inchi InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/b6-5+ ChemAxon inchikey YURNCBVQZBJDAJ-AATRIKPKSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 36.77 ChemAxon polarizability 14.36 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4503 Specdb::MsIr 4504 Specdb::MsIr 4505 Specdb::CMs 16471 Specdb::CMs 42502 Specdb::CMs 149633 Specdb::NmrOneD 18942 Specdb::NmrOneD 18943 Specdb::NmrOneD 18944 Specdb::NmrOneD 18945 Specdb::NmrOneD 18946 Specdb::NmrOneD 18947 Specdb::NmrOneD 18948 Specdb::NmrOneD 18949 Specdb::NmrOneD 18950 Specdb::NmrOneD 18951 Specdb::NmrOneD 18952 Specdb::NmrOneD 18953 Specdb::NmrOneD 18954 Specdb::NmrOneD 18955 Specdb::NmrOneD 18956 Specdb::NmrOneD 18957 Specdb::NmrOneD 18958 Specdb::NmrOneD 18959 Specdb::NmrOneD 18960 Specdb::NmrOneD 18961 Specdb::MsMs 87423 Specdb::MsMs 87424 Specdb::MsMs 87425 Specdb::MsMs 149925 Specdb::MsMs 149926 Specdb::MsMs 149927 Specdb::MsMs 2696733 Specdb::MsMs 2696734 Specdb::MsMs 2696735 Specdb::MsMs 2981402 Specdb::MsMs 2981403 Specdb::MsMs 2981404 HMDB31484 38364 #<Reference:0x0000561272b00e98> rancid