Cas no 158568-27-5 (Bicyclo[2.2.1]heptane-2-carboxylicacid, 2-hydroxy-, (1S-exo)- (9CI))
![Bicyclo[2.2.1]heptane-2-carboxylicacid, 2-hydroxy-, (1S-exo)- (9CI) structure](https://ossimg.kuujia.com/scimg/159000/158568-27-5x500.png)
158568-27-5 structure
Product Name:Bicyclo[2.2.1]heptane-2-carboxylicacid, 2-hydroxy-, (1S-exo)- (9CI)
CAS No:158568-27-5
MF:C8H12O3
MW:156.179082870483
CID:108926
Update Time:2022-07-26
Bicyclo[2.2.1]heptane-2-carboxylicacid, 2-hydroxy-, (1S-exo)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Bicyclo[2.2.1]heptane-2-carboxylicacid, 2-hydroxy-, (1S-exo)- (9CI)
- Bicyclo[2.2.1]heptane-2-carboxylic acid, 2-hydroxy-, (1S-exo)- (9CI)
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- Inchi： 1S/C8H12O3/c9-7(10)8(11)4-5-1-2-6(8)3-5/h5-6,11H,1-4H2,(H,9,10)/t5?,6-,8?/m0/s1
- InChI Key： NLJMUWHNMKOGBO-PIJYJLRNSA-N
- SMILES： [C@@]12([H])CC(CC1)CC2(O)C(O)=O
Computed Properties
- Exact Mass: 156.079
- Monoisotopic Mass: 156.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 202
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 57.5A^2
Bicyclo[2.2.1]heptane-2-carboxylicacid, 2-hydroxy-, (1S-exo)- (9CI) Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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