Cas no 62858-91-7 (Bicyclo[4.2.1]nonane-9,9-dicarboxylic acid)
62858-91-7 structure
Product Name:Bicyclo[4.2.1]nonane-9,9-dicarboxylic acid
CAS No:62858-91-7
MF:C11H16O4
MW:212.242343902588
CID:429763
PubChem ID:71382178
Update Time:2025-04-19
Bicyclo[4.2.1]nonane-9,9-dicarboxylic acid Chemical and Physical Properties
Names and Identifiers
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- Bicyclo[4.2.1]nonane-9,9-dicarboxylic acid
- 62858-91-7
- DTXSID70804572
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- Inchi: 1S/C11H16O4/c12-9(13)11(10(14)15)7-3-1-2-4-8(11)6-5-7/h7-8H,1-6H2,(H,12,13)(H,14,15)
- InChI Key: XHGIGHINQAULTQ-UHFFFAOYSA-N
- SMILES: OC(C1(C(=O)O)C2CCCCC1CC2)=O
Computed Properties
- Exact Mass: 212.10488
- Monoisotopic Mass: 212.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 267
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Bicyclo[4.2.1]nonane-9,9-dicarboxylic acid Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
62858-91-7 (Bicyclo[4.2.1]nonane-9,9-dicarboxylic acid) Related Products
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