Cas no 20994-91-6 (Phosphonic acid, (3-oxopropyl)-, dimethyl ester)
20994-91-6 structure
Product Name:Phosphonic acid, (3-oxopropyl)-, dimethyl ester
CAS No:20994-91-6
MF:C5H11O4P
MW:166.112202882767
CID:1397842
PubChem ID:11147922
Update Time:2025-04-20
Phosphonic acid, (3-oxopropyl)-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic acid, (3-oxopropyl)-, dimethyl ester
- 3-dimethoxyphosphorylpropanal
- oxopropylphosphonic acid dimethyl ester
- SCHEMBL4461275
- DTXSID50456856
- UXOXDWWUQSXVFX-UHFFFAOYSA-N
- 20994-91-6
- beta-(dimethylphosphono)propionaldehyde
- Dimethyl (3-oxopropyl)phosphonate
-
- Inchi： 1S/C5H11O4P/c1-8-10(7,9-2)5-3-4-6/h4H,3,5H2,1-2H3
- InChI Key： UXOXDWWUQSXVFX-UHFFFAOYSA-N
- SMILES： P(CCC=O)(=O)(OC)OC
Computed Properties
- Exact Mass: 166.03953
- Monoisotopic Mass: 166.03949583g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 137
- 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: -1.1
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
- LogP: 1.06130
Phosphonic acid, (3-oxopropyl)-, dimethyl ester Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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