Cas no 144969-18-6 (2-Heptanone,4-chloro-3-hydroxy-)
144969-18-6 structure
Product Name:2-Heptanone,4-chloro-3-hydroxy-
CAS No:144969-18-6
MF:C7H13ClO2
MW:164.629921674728
CID:101979
Update Time:2024-01-24
2-Heptanone,4-chloro-3-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Heptanone,4-chloro-3-hydroxy-
- 2-Heptanone, 4-chloro-3-hydroxy-
-
- Inchi： 1S/C7H13ClO2/c1-3-4-6(8)7(10)5(2)9/h6-7,10H,3-4H2,1-2H3
- InChI Key： MFRLVVRNSVQAPN-UHFFFAOYSA-N
- SMILES： CC(=O)C(O)C(Cl)CCC
Computed Properties
- Exact Mass: 164.06049
- Monoisotopic Mass: 164.06
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 114
- 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: 37.3A^2
Experimental Properties
- PSA: 37.3
2-Heptanone,4-chloro-3-hydroxy- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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