Cas no 91971-27-6 (2,5-Cyclohexadiene-1,4-dione, 2-ethyl-5,6-dimethoxy-3-methyl-)
91971-27-6 structure
Product Name:2,5-Cyclohexadiene-1,4-dione, 2-ethyl-5,6-dimethoxy-3-methyl-
CAS No:91971-27-6
MF:C11H14O4
MW:210.226463794708
CID:761678
PubChem ID:53495225
Update Time:2025-04-19
2,5-Cyclohexadiene-1,4-dione, 2-ethyl-5,6-dimethoxy-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione, 2-ethyl-5,6-dimethoxy-3-methyl-
- 2-ethyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
- 91971-27-6
- SCHEMBL13033957
- DTXSID10705473
-
- Inchi： 1S/C11H14O4/c1-5-7-6(2)8(12)10(14-3)11(15-4)9(7)13/h5H2,1-4H3
- InChI Key： VKNNZDDRQBZFFF-UHFFFAOYSA-N
- SMILES： O(C)C1=C(C(C(C)=C(C1=O)CC)=O)OC
Computed Properties
- Exact Mass: 210.089
- Monoisotopic Mass: 210.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 374
- 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: 1.7
- Topological Polar Surface Area: 52.6A^2
2,5-Cyclohexadiene-1,4-dione, 2-ethyl-5,6-dimethoxy-3-methyl- Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
91971-27-6 (2,5-Cyclohexadiene-1,4-dione, 2-ethyl-5,6-dimethoxy-3-methyl-) Related Products
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