Cas no 86728-87-2 (Pentyl 4-chloro-3-oxobutanoate)
86728-87-2 structure
Product Name:Pentyl 4-chloro-3-oxobutanoate
CAS No:86728-87-2
MF:C9H15ClO3
MW:206.666602373123
CID:2809504
PubChem ID:13705505
Update Time:2025-04-21
Pentyl 4-chloro-3-oxobutanoate Chemical and Physical Properties
Names and Identifiers
-
- DTXSID70547215
- PENTYL 4-CHLORO-3-OXOBUTANOATE
- 86728-87-2
- SCHEMBL10775601
- Pentyl 4-chloro-3-oxobutanoate
-
- Inchi： 1S/C9H15ClO3/c1-2-3-4-5-13-9(12)6-8(11)7-10/h2-7H2,1H3
- InChI Key： AQOKZYJLLBBVKG-UHFFFAOYSA-N
- SMILES： ClCC(CC(=O)OCCCCC)=O
Computed Properties
- Exact Mass: 206.0709720Da
- Monoisotopic Mass: 206.0709720Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 168
- 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: 2.4
- Topological Polar Surface Area: 43.4?2
Pentyl 4-chloro-3-oxobutanoate Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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