Cas no 23387-09-9 (2-Pentanone,1-chloro-3-hydroxy-4-methyl-)
23387-09-9 structure
Product Name:2-Pentanone,1-chloro-3-hydroxy-4-methyl-
CAS No:23387-09-9
MF:C6H11ClO2
MW:150.603341341019
CID:252022
Update Time:2024-01-26
2-Pentanone,1-chloro-3-hydroxy-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanone,1-chloro-3-hydroxy-4-methyl-
- 2-Pentanone, 1-chloro-3-hydroxy-4-methyl-
-
- Inchi： 1S/C6H11ClO2/c1-4(2)6(9)5(8)3-7/h4,6,9H,3H2,1-2H3
- InChI Key： FGUBGMXONIQCDL-UHFFFAOYSA-N
- SMILES： C(Cl)C(=O)C(O)C(C)C
Computed Properties
- Exact Mass: 150.04483
- Monoisotopic Mass: 150.045
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 101
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 37.3A^2
Experimental Properties
- PSA: 37.3
2-Pentanone,1-chloro-3-hydroxy-4-methyl- Related Literature
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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
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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