Cas no 19995-88-1 (2,6-Heptanedione,3-chloro-)
2,6-Heptanedione,3-chloro- structure
Product Name:2,6-Heptanedione,3-chloro-
CAS No:19995-88-1
MF:C7H11ClO2
MW:162.614041566849
CID:123882
PubChem ID:12933943
Update Time:2025-04-18
2,6-Heptanedione,3-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Heptanedione,3-chloro-
- 2,6-Heptanedione, 3-chloro-
- 3-Chloroheptane-2,6-dione
- 19995-88-1
-
- Inchi： 1S/C7H11ClO2/c1-5(9)3-4-7(8)6(2)10/h7H,3-4H2,1-2H3
- InChI Key： AOKDGSUVQLOLGJ-UHFFFAOYSA-N
- SMILES： ClC(C(C)=O)CCC(C)=O
Computed Properties
- Exact Mass: 162.04483
- Monoisotopic Mass: 162.0447573g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 143
- 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
- XLogP3: 0.6
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
2,6-Heptanedione,3-chloro- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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