Cas no 74503-11-0 (Acetic acid, chlorooxo-, octyl ester)
74503-11-0 structure
Product Name:Acetic acid, chlorooxo-, octyl ester
CAS No:74503-11-0
MF:C10H17ClO3
MW:220.693182706833
CID:1767929
PubChem ID:13158687
Update Time:2025-04-21
Acetic acid, chlorooxo-, octyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, chlorooxo-, octyl ester
- octyl 2-chloro-2-oxoacetate
- SCHEMBL10539083
- Octyl chloro(oxo)acetate
- DTXSID50523214
- 74503-11-0
-
- Inchi： 1S/C10H17ClO3/c1-2-3-4-5-6-7-8-14-10(13)9(11)12/h2-8H2,1H3
- InChI Key： VOXPNWBULDGYAH-UHFFFAOYSA-N
- SMILES： ClC(C(=O)OCCCCCCCC)=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: 4.4
- Topological Polar Surface Area: 43.4?2
Acetic acid, chlorooxo-, octyl ester Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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