Cas no 86516-11-2 (2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5,6-dimethoxy-3-methyl-)
86516-11-2 structure
Product Name:2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5,6-dimethoxy-3-methyl-
CAS No:86516-11-2
MF:C9H10O5
MW:198.172703266144
CID:661459
PubChem ID:19105629
Update Time:2025-04-19
2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5,6-dimethoxy-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5,6-dimethoxy-3-methyl-
- 2-hydroxy-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
- DTXSID10598140
- 86516-11-2
- SCHEMBL9180312
-
- Inchi： 1S/C9H10O5/c1-4-5(10)7(12)9(14-3)8(13-2)6(4)11/h10H,1-3H3
- InChI Key： ZIHGHGAQMRGZKY-UHFFFAOYSA-N
- SMILES： O(C)C1C(C(C)=C(C(C=1OC)=O)O)=O
Computed Properties
- Exact Mass: 198.05282342g/mol
- Monoisotopic Mass: 198.05282342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 361
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 72.8?2
2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5,6-dimethoxy-3-methyl- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
86516-11-2 (2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5,6-dimethoxy-3-methyl-) Related Products
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