Cas no 385368-06-9 (Bicyclo[3.1.0]hexane-6-carboxylicacid, 6-fluoro-2-oxo-, (1S,5S,6S)-)
![Bicyclo[3.1.0]hexane-6-carboxylicacid, 6-fluoro-2-oxo-, (1S,5S,6S)- structure](https://ossimg.kuujia.com/scimg/385500/385368-06-9x500.png)
385368-06-9 structure
Product Name:Bicyclo[3.1.0]hexane-6-carboxylicacid, 6-fluoro-2-oxo-, (1S,5S,6S)-
CAS No:385368-06-9
MF:C7H7FO3
MW:158.127085924149
CID:298621
PubChem ID:45084910
Update Time:2025-04-19
Bicyclo[3.1.0]hexane-6-carboxylicacid, 6-fluoro-2-oxo-, (1S,5S,6S)- Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[3.1.0]hexane-6-carboxylicacid, 6-fluoro-2-oxo-, (1S,5S,6S)-
- Bicyclo[3.1.0]hexane-6-carboxylic acid, 6-fluoro-2-oxo-, (1S,5S,6S)- (9CI)
- SCHEMBL13246513
- DTXSID80665757
- Bicyclo[3.1.0]hexane-6-carboxylic acid,6-fluoro-2-oxo-,(1S,5S,6S)-(9ci)
- (1S,5S,6S)-6-Fluoro-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid
- 385368-06-9
-
- Inchi： 1S/C7H7FO3/c8-7(6(10)11)3-1-2-4(9)5(3)7/h3,5H,1-2H2,(H,10,11)/t3-,5-,7-/m0/s1
- InChI Key： DONRFEOAFXSQFL-XUJUNTFYSA-N
- SMILES： F[C@]1(C(=O)O)[C@@H]2C(CC[C@@H]21)=O
Computed Properties
- Exact Mass: 158.03791
- Monoisotopic Mass: 158.038
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 250
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 54.4A^2
- XLogP3: -0.1
Experimental Properties
- PSA: 54.37
Bicyclo[3.1.0]hexane-6-carboxylicacid, 6-fluoro-2-oxo-, (1S,5S,6S)- Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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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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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Cyclopropanecarboxylic acids
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Cyclopropanecarboxylic acids and derivatives Cyclopropanecarboxylic acids
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