1.0 2010-04-08 22:07:29 UTC 2020-02-24 19:10:47 UTC FDB007192 3-Methoxybenzaldehyde Anisaldehyde, or anisic aldehyde, is an organic compound that consists of a benzene ring substituted with an aldehyde and a methoxy group. It is a clear colorless liquid with a strong aroma. It comes in 3 varieties, ortho, meta, and para in which the two functional groups (methoxy and aldehyde) are alpha, beta, and gamma, respectively to each other. The unmodified term anisaldehyde generally refers to the para isomer. Anisaldehyde is found in anise, from which it gets its name. It is similar in structure to vanillin. 3-Anisaldehyde 3-Methoxy-benzaldehyde Benzaldehyde, 3-methoxy- m-Anisaldehyde m-Anisaldehyde, 8CI m-Anisic aldehyde m-Methoxybenzaldehyde Metamethoxybenzaldehyde C8H8O2 136.1479 136.0524295 3-methoxybenzaldehyde benzaldehyde, 3-methoxy- 591-31-1 COC1=CC(C=O)=CC=C1 InChI=1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3 WMPDAIZRQDCGFH-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). Benzoyl derivatives Organic compounds Benzenoids Benzene and substituted derivatives Benzoyl derivatives Aromatic homomonocyclic compounds Alkyl aryl ethers Anisoles Benzaldehydes Hydrocarbon derivatives Methoxybenzenes Organic oxides Phenoxy compounds Aldehyde Alkyl aryl ether Anisole Aromatic homomonocyclic compound Aryl-aldehyde Benzaldehyde Benzoyl Ether Hydrocarbon derivative Methoxybenzene Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound a small molecule Liquid logp 1.62 ALOGPS logs -1.84 ALOGPS solubility 1.98e+00 g/l ALOGPS logp 1.53 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 3-methoxybenzaldehyde ChemAxon average_mass 136.1479 ChemAxon mono_mass 136.0524295 ChemAxon smiles COC1=CC(C=O)=CC=C1 ChemAxon formula C8H8O2 ChemAxon inchi InChI=1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3 ChemAxon inchikey WMPDAIZRQDCGFH-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 39.11 ChemAxon polarizability 13.96 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4473 Specdb::MsIr 4474 Specdb::CMs 15911 Specdb::CMs 27696 Specdb::CMs 29247 Specdb::CMs 100791 Specdb::CMs 100792 Specdb::CMs 130931 Specdb::CMs 138665 Specdb::NmrOneD 163989 Specdb::NmrOneD 163990 Specdb::NmrOneD 163991 Specdb::NmrOneD 163992 Specdb::NmrOneD 163993 Specdb::NmrOneD 163994 Specdb::NmrOneD 163995 Specdb::NmrOneD 163996 Specdb::NmrOneD 163997 Specdb::NmrOneD 163998 Specdb::NmrOneD 163999 Specdb::NmrOneD 164000 Specdb::NmrOneD 164001 Specdb::NmrOneD 164002 Specdb::NmrOneD 164003 Specdb::NmrOneD 164004 Specdb::NmrOneD 164005 Specdb::NmrOneD 164006 Specdb::NmrOneD 164007 Specdb::NmrOneD 164008 Specdb::MsMs 90645 Specdb::MsMs 90646 Specdb::MsMs 90647 Specdb::MsMs 153840 Specdb::MsMs 153841 Specdb::MsMs 153842 Specdb::MsMs 2348612 Specdb::MsMs 2348613 Specdb::MsMs 2348614 Specdb::MsMs 2586256 Specdb::MsMs 2586257 Specdb::MsMs 2586258 HMDB31459 #<Reference:0x0000561271326c28> Cloves Type 1 specific Syzygium aromaticum 219868 anisic