Cas no 61408-88-6 (Phosphonic acid, (2-oxooctyl)-, dimethyl ester)
61408-88-6 structure
Product Name:Phosphonic acid, (2-oxooctyl)-, dimethyl ester
CAS No:61408-88-6
MF:C10H21O4P
MW:236.245104551315
CID:480482
PubChem ID:13390134
Update Time:2025-04-19
Phosphonic acid, (2-oxooctyl)-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic acid, (2-oxooctyl)-, dimethyl ester
- 1-dimethoxyphosphoryloctan-2-one
- ZFMWNFNQTNSEAD-UHFFFAOYSA-N
- DTXSID70539110
- Dimethyl 2-oxooctylphosphonate
- 61408-88-6
- SCHEMBL7947906
- dimethyl-(2-oxo-octyl)phosphonate
- Dimethyl (2-oxooctyl)phosphonate
-
- Inchi： 1S/C10H21O4P/c1-4-5-6-7-8-10(11)9-15(12,13-2)14-3/h4-9H2,1-3H3
- InChI Key： ZFMWNFNQTNSEAD-UHFFFAOYSA-N
- SMILES： P(CC(CCCCCC)=O)(=O)(OC)OC
Computed Properties
- Exact Mass: 236.11783
- Monoisotopic Mass: 236.11774614g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 9
- Complexity: 220
- 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: 3.3
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Phosphonic acid, (2-oxooctyl)-, dimethyl ester Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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