Cas no 104923-38-8 (3,6-dimethylhepta-2,6-dienoyl Chloride)
104923-38-8 structure
Product Name:3,6-dimethylhepta-2,6-dienoyl Chloride
CAS No:104923-38-8
MF:C9H13ClO
MW:172.651921987534
CID:1147024
PubChem ID:71333374
Update Time:2025-04-20
3,6-dimethylhepta-2,6-dienoyl Chloride Chemical and Physical Properties
Names and Identifiers
-
- 3,6-dimethylhepta-2,6-dienoyl Chloride
- 104923-38-8
- DTXSID80761647
-
- Inchi： 1S/C9H13ClO/c1-7(2)4-5-8(3)6-9(10)11/h6H,1,4-5H2,2-3H3
- InChI Key： HDDQQTNVPGNQHH-UHFFFAOYSA-N
- SMILES： ClC(C=C(C)CCC(=C)C)=O
Computed Properties
- Exact Mass: 172.0654927g/mol
- Monoisotopic Mass: 172.0654927g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 192
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.8
- Topological Polar Surface Area: 17.1?2
3,6-dimethylhepta-2,6-dienoyl Chloride Related Literature
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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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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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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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