Cas no 845508-40-9 (4-Tert-butyl-1-hydroxycyclohexane-1-carboxylic acid)
845508-40-9 structure
Product Name:4-Tert-butyl-1-hydroxycyclohexane-1-carboxylic acid
CAS No:845508-40-9
MF:C11H20O3
MW:200.274703979492
CID:989458
Update Time:2023-08-03
4-Tert-butyl-1-hydroxycyclohexane-1-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- INDEX NAME NOT YET ASSIGNED
- 4-tert-butyl-1-hydroxycyclohexane-1-carboxylic acid
- 4-Tert-butyl-1-hydroxycyclohexane-1-carboxylic acid
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- Inchi： 1S/C11H20O3/c1-10(2,3)8-4-6-11(14,7-5-8)9(12)13/h8,14H,4-7H2,1-3H3,(H,12,13)
- InChI Key： QFCMVDPOBNXRGN-UHFFFAOYSA-N
- SMILES： OC1(C(=O)O)CCC(CC1)C(C)(C)C
Computed Properties
- Exact Mass: 200.141
- Monoisotopic Mass: 200.141
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 219
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 57.5
4-Tert-butyl-1-hydroxycyclohexane-1-carboxylic acid Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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