Cas no 474316-80-8 (1,3-Cyclohexanediol,1-(1-methylethyl)-(9CI))
474316-80-8 structure
Product Name:1,3-Cyclohexanediol,1-(1-methylethyl)-(9CI)
CAS No:474316-80-8
MF:C9H18O2
MW:158.238023281097
CID:930984
Update Time:2023-03-27
1,3-Cyclohexanediol,1-(1-methylethyl)-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,3-Cyclohexanediol,1-(1-methylethyl)-(9CI)
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- Inchi： 1S/C9H18O2/c1-7(2)9(11)5-3-4-8(10)6-9/h7-8,10-11H,3-6H2,1-2H3
- InChI Key： RMISWOMSTDHPKV-UHFFFAOYSA-N
- SMILES： C1(C(C)C)(O)CCCC(O)C1
Computed Properties
- Exact Mass: 158.131
- Monoisotopic Mass: 158.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 134
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.5A^2
1,3-Cyclohexanediol,1-(1-methylethyl)-(9CI) Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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