Cas no 79685-55-5 (Hexanoic acid, 6-chloro-5-oxo-, ethyl ester)
79685-55-5 structure
Product Name:Hexanoic acid, 6-chloro-5-oxo-, ethyl ester
CAS No:79685-55-5
MF:C8H13ClO3
MW:192.640022039413
CID:532470
PubChem ID:10726421
Update Time:2025-04-19
Hexanoic acid, 6-chloro-5-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 6-chloro-5-oxo-, ethyl ester
- ethyl 6-chloro-5-oxohexanoate
- DTXSID50443983
- ETHYL6-CHLORO-5-OXOHEXANOATE
- 79685-55-5
-
- Inchi： 1S/C8H13ClO3/c1-2-12-8(11)5-3-4-7(10)6-9/h2-6H2,1H3
- InChI Key： OACOMFUXMZYKMI-UHFFFAOYSA-N
- SMILES： ClCC(CCCC(=O)OCC)=O
Computed Properties
- Exact Mass: 192.0553220g/mol
- Monoisotopic Mass: 192.0553220g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 156
- 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
- XLogP3: 1.1
- Topological Polar Surface Area: 43.4?2
Hexanoic acid, 6-chloro-5-oxo-, ethyl ester Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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