Cas no 874357-51-4 (2,5-Cyclohexadiene-1,4-dione, 2-ethyl-3-methyl-)
874357-51-4 structure
Product Name:2,5-Cyclohexadiene-1,4-dione, 2-ethyl-3-methyl-
CAS No:874357-51-4
MF:C9H10O2
MW:150.174502849579
CID:1901292
PubChem ID:21521488
Update Time:2025-04-21
2,5-Cyclohexadiene-1,4-dione, 2-ethyl-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione, 2-ethyl-3-methyl-
- 2-ethyl-3-methyl-1,4-benzoquinone
- 2-ethyl-3-methylcyclohexa-2,5-diene-1,4-dione
- 874357-51-4
- SCHEMBL11771402
-
- Inchi： 1S/C9H10O2/c1-3-7-6(2)8(10)4-5-9(7)11/h4-5H,3H2,1-2H3
- InChI Key： CMBANAGVBLPIPT-UHFFFAOYSA-N
- SMILES： CCC1C(=O)C=CC(=O)C=1C
Computed Properties
- Exact Mass: 150.068079557Da
- Monoisotopic Mass: 150.068079557Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 269
- 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: 34.1?2
2,5-Cyclohexadiene-1,4-dione, 2-ethyl-3-methyl- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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