1.0 2026-09-22 16:49:54 UTC 2026-09-22 16:49:54 UTC FDB118546 (1R,6S)-3-Hydroxy-4-methyl-7-oxabicyclo(4.1.0)hept-3-ene-2,5-dione (1R,6S)-3-hydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione C7H6O4 154.121 154.026608673 (1R,6S)-3-hydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione (1R,6S)-3-hydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione [H][C@]12O[C@@]1([H])C(=O)C(O)=C(C)C2=O InChI=1S/C7H6O4/c1-2-3(8)5(10)7-6(11-7)4(2)9/h6-8H,1H3/t6-,7+/m1/s1 ATFNSNUJZOYXFC-RQJHMYQMSA-N belongs to the class of organic compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. Cyclohexenones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic heteropolycyclic compounds Dialkyl ethers Enols Epoxides Hydrocarbon derivatives Organic oxides Oxacyclic compounds Vinylogous acids Aliphatic heteropolycyclic compound Cyclohexenone Dialkyl ether Enol Ether Hydrocarbon derivative Organic oxide Organoheterocyclic compound Oxacycle Oxirane Vinylogous acid logp -0.19 ALOGPS logs 0.48 ALOGPS solubility 4.71e+02 g/l ALOGPS logp 0.27 ChemAxon pka_strongest_acidic 4.48 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac (1R,6S)-3-hydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione ChemAxon average_mass 154.121 ChemAxon mono_mass 154.026608673 ChemAxon smiles [H][C@]12O[C@@]1([H])C(=O)C(O)=C(C)C2=O ChemAxon formula C7H6O4 ChemAxon inchi InChI=1S/C7H6O4/c1-2-3(8)5(10)7-6(11-7)4(2)9/h6-8H,1H3/t6-,7+/m1/s1 ChemAxon inchikey ATFNSNUJZOYXFC-RQJHMYQMSA-N ChemAxon polar_surface_area 66.9 ChemAxon refractivity 35.45 ChemAxon polarizability 13.41 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 3803 Specdb::MsMs 3616263 Specdb::MsMs 3616264 Specdb::MsMs 3616265 Specdb::MsMs 3616266 Specdb::MsMs 3616267 Specdb::MsMs 3616268 Specdb::CMs 1083789 Specdb::NmrOneD 302425 Specdb::NmrOneD 302426 Specdb::NmrOneD 302427 Specdb::NmrOneD 302428 Specdb::NmrOneD 302429 Specdb::NmrOneD 302430 Specdb::NmrOneD 302431 Specdb::NmrOneD 302432 Specdb::NmrOneD 302433 Specdb::NmrOneD 302434 Specdb::NmrOneD 302435 Specdb::NmrOneD 302436 Specdb::NmrOneD 302437 Specdb::NmrOneD 302438 Specdb::NmrOneD 302439 Specdb::NmrOneD 302440 Specdb::NmrOneD 302441 Specdb::NmrOneD 302442 Specdb::NmrOneD 302443 Specdb::NmrOneD 302444