1.0 2010-04-08 22:11:26 UTC 2019-11-26 03:10:39 UTC FDB014719 4-(1-Methylethenyl)benzaldehyde Constituent of Roman chamomile oil (Anthemis nobilis). 4-(1-Methylethenyl)benzaldehyde is found in roman camomile and herbs and spices. 4-Isopropenylbenzaldehyde p-Mentha-1,3,5,8-tetraen-7-al C10H10O 146.1858 146.073164942 4-(prop-1-en-2-yl)benzaldehyde 4-(prop-1-en-2-yl)benzaldehyde 10133-50-3 CC(=C)C1=CC=C(C=O)C=C1 InChI=1S/C10H10O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-7H,1H2,2H3 IRWAASJGTLXGMV-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpropenes. Phenylpropenes are compounds containing a phenylpropene moiety, which consists of a propene substituent bound to a phenyl group. Phenylpropenes Organic compounds Benzenoids Benzene and substituted derivatives Phenylpropenes Aromatic homomonocyclic compounds Benzaldehydes Benzoyl derivatives Hydrocarbon derivatives Organic oxides Styrenes Aldehyde Aromatic homomonocyclic compound Aryl-aldehyde Benzaldehyde Benzoyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Phenylpropene Styrene logp 2.34 ALOGPS logs -2.65 ALOGPS solubility 3.26e-01 g/l ALOGPS logp 2.72 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 4-(prop-1-en-2-yl)benzaldehyde ChemAxon average_mass 146.1858 ChemAxon mono_mass 146.073164942 ChemAxon smiles CC(=C)C1=CC=C(C=O)C=C1 ChemAxon formula C10H10O ChemAxon inchi InChI=1S/C10H10O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-7H,1H2,2H3 ChemAxon inchikey IRWAASJGTLXGMV-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 46.61 ChemAxon polarizability 16.41 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7041 Specdb::MsIr 7042 Specdb::CMs 23102 Specdb::CMs 153081 Specdb::MsMs 93564 Specdb::MsMs 93565 Specdb::MsMs 93566 Specdb::MsMs 157350 Specdb::MsMs 157351 Specdb::MsMs 157352 Specdb::MsMs 2405579 Specdb::MsMs 2405580 Specdb::MsMs 2405581 Specdb::MsMs 2530713 Specdb::MsMs 2530714 Specdb::MsMs 2530715 HMDB35925 #<Reference:0x000055ce32821a58> Herbs and Spices Unknown generic Roman camomile Type 1 specific Chamaemelum nobile 99037