1.0 2010-04-08 22:14:44 UTC 2019-11-26 03:18:14 UTC FDB019996 2-Propylfuran Constituent of volatile components of heated peanut oil, apricot, plum and carob bean (Ceratonia siliqua). 2-Propylfuran is found in pulses, nuts, and fruits. 2-n-PROPYL FURAN 2-n-Propylfuran 2-Propyl-furan Furan, &alpha;-propyl- Furan, 2-propyl- C7H10O 110.1537 110.073164942 2-propylfuran furan, 2-propyl- 4229-91-8 CCCC1=CC=CO1 InChI=1S/C7H10O/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3 CPLJMYOQYRCCBY-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 Furans Hydrocarbon derivatives Organooxygen compounds Oxacyclic compounds Aromatic heteromonocyclic compound Furan Heteroaromatic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle logp 2.99 ALOGPS logs -1.63 ALOGPS solubility 2.56e+00 g/l ALOGPS logp 2.28 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 2-propylfuran ChemAxon average_mass 110.1537 ChemAxon mono_mass 110.073164942 ChemAxon smiles CCCC1=CC=CO1 ChemAxon formula C7H10O ChemAxon inchi InChI=1S/C7H10O/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3 ChemAxon inchikey CPLJMYOQYRCCBY-UHFFFAOYSA-N ChemAxon polar_surface_area 13.14 ChemAxon refractivity 32.85 ChemAxon polarizability 12.86 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8881 Specdb::MsIr 8882 Specdb::CMs 19650 Specdb::CMs 28883 Specdb::CMs 102112 Specdb::CMs 167850 Specdb::MsMs 309703 Specdb::MsMs 309704 Specdb::MsMs 309705 Specdb::MsMs 354208 Specdb::MsMs 354209 Specdb::MsMs 354210 Specdb::MsMs 2664952 Specdb::MsMs 2664953 Specdb::MsMs 2664954 Specdb::MsMs 3016422 Specdb::MsMs 3016423 Specdb::MsMs 3016424 Specdb::NmrOneD 39502 Specdb::NmrOneD 39503 Specdb::NmrOneD 39504 Specdb::NmrOneD 39505 Specdb::NmrOneD 39506 Specdb::NmrOneD 39507 Specdb::NmrOneD 39508 Specdb::NmrOneD 39509 Specdb::NmrOneD 39510 Specdb::NmrOneD 39511 Specdb::NmrOneD 39512 Specdb::NmrOneD 39513 Specdb::NmrOneD 39514 Specdb::NmrOneD 39515 Specdb::NmrOneD 39516 Specdb::NmrOneD 39517 Specdb::NmrOneD 39518 Specdb::NmrOneD 39519 Specdb::NmrOneD 39520 Specdb::NmrOneD 39521 HMDB40277 #<Reference:0x000055ce317dc468> Fruits Unknown generic Nuts Unknown generic Pulses Unknown generic