1.0 2010-04-08 22:05:47 UTC 2015-07-20 21:55:01 UTC FDB003406 Cyclohexanecarboxylic acid Flavouring ingredient 7549-42-0 (calcium salt) Benzoic acid, hexahydro- Carboxycyclohexane Cyclohexancarbonsaeure Cyclohexane-1-carboxylate Cyclohexane-1-carboxylic acid Cyclohexanecarboxylate Cyclohexanoate Cyclohexanoic acid Cyclohexylcarboxylate Cyclohexylcarboxylic acid Cyclohexylformate Cyclohexylformic acid Cyclohexylmethanoate Cyclohexylmethanoic acid FEMA 3531 hexahydro-Benzoic acid Hexahydrobenzoate Hexahydrobenzoic acid Naphthenic acid Naphthenoic acid C7H12O2 128.169 128.083729628 cyclohexanecarboxylic acid cyclohexanecarboxylic acid 98-89-5 OC(=O)C1CCCCC1 InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9) NZNMSOFKMUBTKW-UHFFFAOYSA-N belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH. Carboxylic acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acids Aliphatic homomonocyclic compounds Carbonyl compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound monocarboxylic acid Liquid logp 1.88 ALOGPS logs -1.20 ALOGPS solubility 8.01e+00 g/l ALOGPS melting_point Mp 31-32° logp 1.89 ChemAxon pka_strongest_acidic 4.82 ChemAxon iupac cyclohexanecarboxylic acid ChemAxon average_mass 128.169 ChemAxon mono_mass 128.083729628 ChemAxon smiles OC(=O)C1CCCCC1 ChemAxon formula C7H12O2 ChemAxon inchi InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9) ChemAxon inchikey NZNMSOFKMUBTKW-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 33.85 ChemAxon polarizability 14.03 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19684 Specdb::CMs 29665 Specdb::CMs 42441 Specdb::CMs 100743 Specdb::CMs 165795 Specdb::NmrOneD 163529 Specdb::NmrOneD 163530 Specdb::NmrOneD 163531 Specdb::NmrOneD 163532 Specdb::NmrOneD 163533 Specdb::NmrOneD 163534 Specdb::NmrOneD 163535 Specdb::NmrOneD 163536 Specdb::NmrOneD 163537 Specdb::NmrOneD 163538 Specdb::NmrOneD 163539 Specdb::NmrOneD 163540 Specdb::NmrOneD 163541 Specdb::NmrOneD 163542 Specdb::NmrOneD 163543 Specdb::NmrOneD 163544 Specdb::NmrOneD 163545 Specdb::NmrOneD 163546 Specdb::NmrOneD 163547 Specdb::NmrOneD 163548 Specdb::MsIr 4398 Specdb::MsIr 4399 Specdb::MsIr 4400 Specdb::MsMs 85704 Specdb::MsMs 85705 Specdb::MsMs 85706 Specdb::MsMs 147843 Specdb::MsMs 147844 Specdb::MsMs 147845 Specdb::MsMs 437499 Specdb::MsMs 437500 Specdb::MsMs 437501 Specdb::MsMs 437502 Specdb::MsMs 437503 Specdb::MsMs 2340093 Specdb::MsMs 2340094 Specdb::MsMs 2340095 Specdb::MsMs 2625089 Specdb::MsMs 2625090 Specdb::MsMs 2625091 HMDB31342 36096 #<Reference:0x000055ce32120678> #<Reference:0x000055ce32120470> #<Reference:0x000055ce321202b8> #<Reference:0x000055ce321200d8> acidic cheese fruity metallic tropical