Cas no 61728-15-2 (Phosphonic acid, (2-oxohexyl)-, dimethyl ester)
61728-15-2 structure
Product Name:Phosphonic acid, (2-oxohexyl)-, dimethyl ester
CAS No:61728-15-2
MF:C8H17O4P
MW:208.191943883896
CID:468270
PubChem ID:10889105
Update Time:2025-04-19
Phosphonic acid, (2-oxohexyl)-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic acid, (2-oxohexyl)-, dimethyl ester
- 1-dimethoxyphosphorylhexan-2-one
- dimethyl 2-oxohexanephosphonate
- dimethyl 2-oxo-hexylphosphonate
- RHPYJNBYNQILFP-UHFFFAOYSA-N
- DTXSID70447246
- Dimethyl 2-oxohexylphosphonate
- dimethyl(2-oxohexyl)phosphonate
- SCHEMBL7714477
- 61728-15-2
- Dimethyl (2-oxohexyl)phosphonate
-
- Inchi： 1S/C8H17O4P/c1-4-5-6-8(9)7-13(10,11-2)12-3/h4-7H2,1-3H3
- InChI Key： RHPYJNBYNQILFP-UHFFFAOYSA-N
- SMILES： P(CC(CCCC)=O)(=O)(OC)OC
Computed Properties
- Exact Mass: 208.08600
- Monoisotopic Mass: 208.08644602g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 194
- 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: 2.2
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 62.41000
- LogP: 2.23160
Phosphonic acid, (2-oxohexyl)-, dimethyl ester Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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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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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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