Cas no 54490-80-1 (2,5-Cyclohexadiene-1,4-dione, 2-chloro-6-methoxy-)
54490-80-1 structure
Product Name:2,5-Cyclohexadiene-1,4-dione, 2-chloro-6-methoxy-
CAS No:54490-80-1
MF:C7H5ClO3
MW:172.565801382065
CID:354453
PubChem ID:11084352
Update Time:2025-04-19
2,5-Cyclohexadiene-1,4-dione, 2-chloro-6-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione, 2-chloro-6-methoxy-
- 2-chloro-6-methoxycyclohexa-2,5-diene-1,4-dione
- SCHEMBL9364524
- DTXSID00454589
- 54490-80-1
-
- Inchi： 1S/C7H5ClO3/c1-11-6-3-4(9)2-5(8)7(6)10/h2-3H,1H3
- InChI Key： CGTKOPHUGPJEPA-UHFFFAOYSA-N
- SMILES： ClC1=CC(C=C(C1=O)OC)=O
Computed Properties
- Exact Mass: 171.99275
- Monoisotopic Mass: 171.9927217g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 275
- 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: 0.6
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
2,5-Cyclohexadiene-1,4-dione, 2-chloro-6-methoxy- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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