Cas no 545401-87-4 (9-Oxabicyclo[3.3.1]nonane-2,6-diol, (1R,2R,5R,6R)- (9CI))
![9-Oxabicyclo[3.3.1]nonane-2,6-diol, (1R,2R,5R,6R)- (9CI) structure](https://ossimg.kuujia.com/scimg/545500/545401-87-4x500.png)
545401-87-4 structure
Product Name:9-Oxabicyclo[3.3.1]nonane-2,6-diol, (1R,2R,5R,6R)- (9CI)
CAS No:545401-87-4
MF:C8H14O3
MW:158.194962978363
CID:941847
PubChem ID:57358227
Update Time:2025-04-19
9-Oxabicyclo[3.3.1]nonane-2,6-diol, (1R,2R,5R,6R)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 9-Oxabicyclo[3.3.1]nonane-2,6-diol, (1R,2R,5R,6R)- (9CI)
- (1R,2R,5R,6R)-9-Oxabicyclo[3.3.1]nonane-2,6-diol
- 545401-87-4
- DTXSID80724055
-
- Inchi： 1S/C8H14O3/c9-5-1-3-7-6(10)2-4-8(5)11-7/h5-10H,1-4H2/t5-,6-,7-,8-/m1/s1
- InChI Key： SIZKKURETCQUKI-WCTZXXKLSA-N
- SMILES： O1[C@@H]2CC[C@H]([C@H]1CC[C@H]2O)O
Computed Properties
- Exact Mass: 158.094294304g/mol
- Monoisotopic Mass: 158.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 132
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0
- Topological Polar Surface Area: 49.7?2
9-Oxabicyclo[3.3.1]nonane-2,6-diol, (1R,2R,5R,6R)- (9CI) Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
545401-87-4 (9-Oxabicyclo[3.3.1]nonane-2,6-diol, (1R,2R,5R,6R)- (9CI)) Related Products
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- 16069-36-6(Icosahydrodibenzob,k1,4,7,10,13,16hexaoxacyclooctadecine)
- 17454-48-7(Cyclohexano-15-crown-5, mixture of cis andtrans)
- 19752-84-2(oxan-3-ol)
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