Cas no 26828-72-8 (7-Oxabicyclo[4.1.0]heptan-2-ol,(1R,2R,6S)-rel-)
![7-Oxabicyclo[4.1.0]heptan-2-ol,(1R,2R,6S)-rel- structure](https://ossimg.kuujia.com/scimg/27000/26828-72-8x500.png)
26828-72-8 structure
Product Name:7-Oxabicyclo[4.1.0]heptan-2-ol,(1R,2R,6S)-rel-
CAS No:26828-72-8
MF:C6H10O2
MW:114.142402172089
CID:260419
PubChem ID:330105
Update Time:2025-04-19
7-Oxabicyclo[4.1.0]heptan-2-ol,(1R,2R,6S)-rel- Chemical and Physical Properties
Names and Identifiers
-
- 7-Oxabicyclo[4.1.0]heptan-2-ol,(1R,2R,6S)-rel-
- (1S,5R,6R)-7-oxabicyclo[4.1.0]heptan-5-ol
- NTUQPJNKERXQPA-NGJCXOISSA-N
- NSC316063
- SCHEMBL15465506
- DTXSID00317468
- AC1L766H
- (1R*,2R*,6S*)-7-oxabicyclo[4.1.0]heptan-2-ol
- NSC-316063
- 26828-72-8
-
- Inchi： 1S/C6H10O2/c7-4-2-1-3-5-6(4)8-5/h4-7H,1-3H2/t4-,5+,6-/m1/s1
- InChI Key： NTUQPJNKERXQPA-NGJCXOISSA-N
- SMILES： O1[C@H]2CCC[C@H]([C@@H]12)O
Computed Properties
- Exact Mass: 114.0681
- Monoisotopic Mass: 114.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 103
- 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
- XLogP3: 0.2
- Topological Polar Surface Area: 32.8?2
Experimental Properties
- Density: 1.224
- Boiling Point: 229.9°Cat760mmHg
- Flash Point: 111.5°C
- Refractive Index: 1.532
- PSA: 32.76
- LogP: 0.29860
7-Oxabicyclo[4.1.0]heptan-2-ol,(1R,2R,6S)-rel- Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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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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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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