Cas no 65271-60-5 (1,5-Cyclohexadiene-1-carboxylic acid, 5-hydroxy-3,4-dioxo-)
65271-60-5 structure
Product Name:1,5-Cyclohexadiene-1-carboxylic acid, 5-hydroxy-3,4-dioxo-
CAS No:65271-60-5
MF:C7H4O5
MW:168.103662490845
CID:389202
PubChem ID:5478648
Update Time:2025-04-19
1,5-Cyclohexadiene-1-carboxylic acid, 5-hydroxy-3,4-dioxo- Chemical and Physical Properties
Names and Identifiers
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- 1,5-Cyclohexadiene-1-carboxylic acid, 5-hydroxy-3,4-dioxo-
- 3-hydroxy-4,5-bis(λ<sup>1</sup>-oxidanyl)benzoic acid
- DTXSID50420476
- 65271-60-5
- SCHEMBL16117344
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- Inchi： 1S/C7H4O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8H,(H,11,12)
- InChI Key： IMQOXXXEFPRTQU-UHFFFAOYSA-N
- SMILES： OC1=C(C(=CC(C(=O)O)=C1)[O])[O] |^1:10,11|
Computed Properties
- Exact Mass: 168.00587322g/mol
- Monoisotopic Mass: 168.00587322g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 181
- 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: 59.5?2
1,5-Cyclohexadiene-1-carboxylic acid, 5-hydroxy-3,4-dioxo- Related Literature
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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
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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