Cas no 90250-79-6 (Phosphonic acid, (1-cyanoethyl)-, dimethyl ester)
90250-79-6 structure
Product Name:Phosphonic acid, (1-cyanoethyl)-, dimethyl ester
CAS No:90250-79-6
MF:C5H10NO3P
MW:163.111562252045
CID:791304
PubChem ID:13215459
Update Time:2025-04-19
Phosphonic acid, (1-cyanoethyl)-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic acid, (1-cyanoethyl)-, dimethyl ester
- 2-dimethoxyphosphorylpropanenitrile
- 90250-79-6
- DTXSID20528812
- Dimethyl (1-cyanoethyl)phosphonate
- SCHEMBL11600629
-
- Inchi: 1S/C5H10NO3P/c1-5(4-6)10(7,8-2)9-3/h5H,1-3H3
- InChI Key: WFZVIZJJHOLQJI-UHFFFAOYSA-N
- SMILES: P(C(C#N)C)(=O)(OC)OC
Computed Properties
- Exact Mass: 163.03983018g/mol
- Monoisotopic Mass: 163.03983018g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 186
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.3
- Topological Polar Surface Area: 59.3?2
Experimental Properties
- PSA: 69.13000
- LogP: 1.38438
Phosphonic acid, (1-cyanoethyl)-, dimethyl ester Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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