Cas no 88956-80-3 (Butanoic acid, 3-oxo-, 6-chlorohexyl ester)
88956-80-3 structure
Product Name:Butanoic acid, 3-oxo-, 6-chlorohexyl ester
CAS No:88956-80-3
MF:C10H17ClO3
MW:220.693182706833
CID:618341
PubChem ID:14278324
Update Time:2025-04-19
Butanoic acid, 3-oxo-, 6-chlorohexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 3-oxo-, 6-chlorohexyl ester
- 6-chlorohexyl 3-oxobutanoate
- 88956-80-3
- SCHEMBL10574141
- DTXSID40558398
-
- Inchi： 1S/C10H17ClO3/c1-9(12)8-10(13)14-7-5-3-2-4-6-11/h2-8H2,1H3
- InChI Key： RFILHRYXPROLBO-UHFFFAOYSA-N
- SMILES： ClCCCCCCOC(CC(C)=O)=O
Computed Properties
- Exact Mass: 220.0866221g/mol
- Monoisotopic Mass: 220.0866221g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 9
- Complexity: 180
- 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: 1.9
- Topological Polar Surface Area: 43.4?2
Butanoic acid, 3-oxo-, 6-chlorohexyl ester Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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