Cas no 59739-20-7 (Phosphonic acid, (6-methyl-2-oxoheptyl)-, dimethyl ester)
59739-20-7 structure
Product Name:Phosphonic acid, (6-methyl-2-oxoheptyl)-, dimethyl ester
CAS No:59739-20-7
MF:C10H21O4P
MW:236.245104551315
CID:337450
PubChem ID:15223968
Update Time:2025-04-19
Phosphonic acid, (6-methyl-2-oxoheptyl)-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic acid, (6-methyl-2-oxoheptyl)-, dimethyl ester
- 1-dimethoxyphosphoryl-6-methylheptan-2-one
- Dimethyl (6-methyl-2-oxoheptyl)phosphonate
- SCHEMBL7947601
- Dimethyl 6-methyl-2-oxoheptylphosphonate
- Dimethyl(6-methyl-2-oxoheptyl)phosphonate
- OWTUAGFQGWALSI-UHFFFAOYSA-N
- DTXSID10570249
- 59739-20-7
-
- Inchi： 1S/C10H21O4P/c1-9(2)6-5-7-10(11)8-15(12,13-3)14-4/h9H,5-8H2,1-4H3
- InChI Key： OWTUAGFQGWALSI-UHFFFAOYSA-N
- SMILES： P(CC(CCCC(C)C)=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: 8
- Complexity: 230
- 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
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Phosphonic acid, (6-methyl-2-oxoheptyl)-, dimethyl ester Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
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Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
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