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Quinone

PubChem CID: 4650

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Compound Synonyms p-benzoquinone, 1,4-BENZOQUINONE, Benzoquinone, Quinone, 106-51-4, p-Quinone, cyclohexa-2,5-diene-1,4-dione, para-Benzoquinone, Chinone, 2,5-Cyclohexadiene-1,4-dione, Cyclohexadienedione, para-Quinone, 1,4-Benzoquine, 1,4-Cyclohexadienedione, 1,4-Dioxybenzene, Steara pbq, p-Chinon, Benzo-chinon, Benzo-1,4-quinone, 1,4-Diossibenzene, Chinon, 1,4-Dioxy-benzol, 1,4-Cyclohexadiene dioxide, semiquinone radicals, Caswell No. 719C, Semiquinone anion, RCRA waste number U197, NCI-C55845, CCRIS 933, USAF P-220, HSDB 1111, Cyclohexadiene-1,4-dione, 1,4-Benzochinon, EINECS 203-405-2, MFCD00001591, NSC 36324, NSC-36324, UN2587, EPA Pesticide Chemical Code 059805, UNII-3T006GV98U, [1,4]benzoquinone, DTXSID6020145, CHEBI:16509, AI3-09068, Quinone1,4-Benzoquinone, QUINONE [MI], QUINONE [WHO-DD], PARA-QUINONE [IARC], CHEMBL8320, DTXCID40145, 2,5-cyclohexadiene-1-4-dione, 3225-29-4, 1,4-BENZOQUINONE [HSDB], EC 203-405-2, 3T006GV98U, 1,4-BENZOQUINONE [USP-RS], UN 2587, 1,4-Benzoquinone, 99%, PARA-QUINONE (IARC), 2,5-Cyclohexadiene-1,4-dione, radical ion(1-), p-Chinon [German], Benzo-chinon [German], 1,4-Benzoquinone, SKF-21232, 1,4-BENZOQUINONE (USP-RS), Chinon [Dutch, German], 1,4 benzoquinone, CAS-106-51-4, 1,4-Dioxy-benzol [German], 1,4-Diossibenzene [Italian], RCRA waste no. U197, parabenzochinon, paraQuinone, pBenzoquinone, pChinon, pQuinone, parabenzoquinone, p-benzo-quinone, C6H4O2, 1,4benzoquinone, 1,4Dioxybenzene, 1,4Dioxybenzol, 1,4Benzoquine, 1,4Diossibenzene, Quinone, p-BQ, NSC36324, Caswell No 719C, 2,4-dione, p-BQ, 1,4Cyclohexadienedione, p-Benzoquinone (OSHA), Benzo-1,4-quinone #, Lopac-B-1266, 1,4Cyclohexadiene dioxide, Quinone (ACGIH:OSHA), Benzoquinone [UN2587], Epitope ID:116219, WLN: L6V DVJ, Chinon(DUTCH, GERMAN), 2,5Cyclohexadiene1,4dione, cid_4650, Lopac0_000120, SCHEMBL18103, MLS002454445, GTPL6307, BDBM22774, CHEBI:39439, HMS2230N13, HMS3260G22, Quinone, 1,4-Cyclohexanedienedione, Tox21_202020, Tox21_302970, Tox21_500120, BBL010327, Benzoquinone [UN2587] [Poison], c0261, STK398389, AKOS000119965, AKOS025243267, CCG-204215, FB01020, LP00120, SDCCGSBI-0050108.P002, 2,5-CYCLOHEXANDIEN-1,4-DIONE, p-Benzoquinone, reagent grade, >=98%, NCGC00015139-01, NCGC00015139-02, NCGC00015139-03, NCGC00015139-04, NCGC00015139-05, NCGC00015139-06, NCGC00015139-07, NCGC00015139-10, NCGC00091053-01, NCGC00091053-02, NCGC00091053-03, NCGC00256505-01, NCGC00259569-01, NCGC00260805-01, SMR000326659, VS-02448, DS-000613, B0089, B0887, EU-0100120, NS00003185, EN300-19699, B 1266, C00472, A801452, Q402719, SR-01000075705, SR-01000075705-1, Z104474802, 1,4-Benzoquinone, pharmaceutical secondary standard, traceable to USP, 1,4-Benzoquinone, United States Pharmacopeia (USP) Reference Standard, cyclohexa-2,5-diene-1,4-dione, QUINONE RING OF THE PLASTOQUINONE 9, 1,4-Benzoquinone, Pharmaceutical Secondary Standard, Certified Reference Material, 1,4-Benzoquinone, 2,5-Cyclohexadiene-1,4-dione, Quinone, 2,5-Cyclohexadiene-1,4-dione, 946-235-0
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 34.1
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CCC(C)CC1
Deep Smiles O=CC=CC=O)C=C6
Heavy Atom Count 8.0
Classyfire Class Organooxygen compounds
Description 1,4-Benzoquinone, commonly known as para-quinone or quinone, is a chemical compound with the formula C6H4O2. 1,4-Benzoquinone is found in barley, olive, and anise.
Scaffold Graph Node Level OC1CCC(O)CC1
Classyfire Subclass Carbonyl compounds
Isotope Atom Count 0.0
Molecular Complexity 149.0
Database Name fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P14679, P16083, P19801, Q16853, O75106, Q08257, P15559, P00469, P29466, O00748, P23141, P12337, P22303, P06276, P30305, P28563, Q64346, Q27686, P46063, P27695, Q9NUW8, P00352, P28482, P54132, Q99714, P51450, P06746, O75164, Q9HC16, Q99549, O15648, Q96KQ7, P83916, Q9UNA4, O89049, P39748, Q12809, Q9Y253, Q03181, P04637, Q16236, O75496, P10145, P51449, Q13148, O75874, O94782, P15289, P53350, P10845, O43175, Q00987, P27338, P21397, G4VFD7, Q02127
Iupac Name cyclohexa-2,5-diene-1,4-dione
Class Organooxygen compounds
Veber Rule True
Classyfire Superclass Organic oxygen compounds
Xlogp 0.2
Superclass Organic oxygen compounds
Subclass Carbonyl compounds
Gsk 4 400 Rule True
Molecular Formula C6H4O2
Scaffold Graph Node Bond Level O=C1C=CC(=O)C=C1
Inchi Key AZQWKYJCGOJGHM-UHFFFAOYSA-N
Silicos It Class Soluble
Rotatable Bond Count 0.0
State Solid
Synonyms 1,4-Benzoquine, 1,4-Cyclohexadiene dioxide, 1,4-Cyclohexadienedione, 1,4-Dioxy-benzol, 1,4-Dioxybenzene, 2,5-Cyclohexadiene-1,4-dione, Benzo-1,4-quinone, Benzoquinone, Chinon, Chinone, Cyclohexa-2,5-diene-1,4-dione, Cyclohexadiene-1,4-dione, p-benzoquinone, p-chinon, p-quinone, Para-benzoquinone, Para-quinone, Quinone, 1,4-Benzochinon, p-Benzoquinone, p-Chinon, p-Quinone, 1,4-Benzoquinone, 1,4-Diossibenzene, 2,5-Cyclohexadiene-1-4-dione, Benzo-chinon, Cyclohexadienedione, Eldoquin, Quinone1,4-benzoquinone, Semiquinone anion, Semiquinone radicals, 1,4-benzoquinone, benzoquinone, benzoquinone, 1,4, benzoquinones, p-benzoquinone, para-benzoquinone, quinone, quinones
Esol Class Very soluble
Functional Groups O=C1C=CC(=O)C=C1
Compound Name Quinone
Kingdom Organic compounds
Exact Mass 108.021
Formal Charge 0.0
Monoisotopic Mass 108.021
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 108.09
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic homomonocyclic compounds
Lipinski Rule Of 5 True
Inchi InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
Smiles C1=CC(=O)C=CC1=O
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent P-benzoquinones

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