Cas no 56942-93-9 (4,7-Methano-1H-indene-5-methanol,octahydro-, (3aR,4R,5R,7R,7aR)-rel-)
56942-93-9 structure
Product Name:4,7-Methano-1H-indene-5-methanol,octahydro-, (3aR,4R,5R,7R,7aR)-rel-
4,7-Methano-1H-indene-5-methanol,octahydro-, (3aR,4R,5R,7R,7aR)-rel- Chemical and Physical Properties
Names and Identifiers
-
- 4,7-Methano-1H-indene-5-methanol,octahydro-, (3aR,4R,5R,7R,7aR)-rel-
- (3aS,4R,5S,7S,7aS)-octahydro-1H-4,7-methanoinden-5-ylmethanol
- (3aalpha,4beta,5alpha,7beta,7aalpha)-octahydro-4,7-methano-1H-indene-5-methanol
-
- Inchi： 1S/C11H18O/c12-6-8-4-7-5-11(8)10-3-1-2-9(7)10/h7-12H,1-6H2/t7-,8-,9+,10+,11-/m1/s1
- InChI Key： HSPRVWPULGKMRC-SAVGLBRCSA-N
- SMILES： OC[C@H]1C[C@@H]2C[C@H]1[C@H]1CCC[C@H]12
Computed Properties
- Exact Mass: 166.136
- Monoisotopic Mass: 166.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 189
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2A^2
- XLogP3: 2.7
Experimental Properties
- Density: 1.052
- Boiling Point: 271.8°Cat760mmHg
- Flash Point: 128.8°C
- Refractive Index: 1.525
4,7-Methano-1H-indene-5-methanol,octahydro-, (3aR,4R,5R,7R,7aR)-rel- Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
56942-93-9 (4,7-Methano-1H-indene-5-methanol,octahydro-, (3aR,4R,5R,7R,7aR)-rel-) Related Products
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