Cas no 648921-30-6 (Phosphonic acid, (1-cyano-3-hydroxypropyl)-, diethyl ester)
648921-30-6 structure
Product Name:Phosphonic acid, (1-cyano-3-hydroxypropyl)-, diethyl ester
CAS No:648921-30-6
MF:C8H16NO4P
MW:221.190703392029
CID:412315
PubChem ID:71378011
Update Time:2025-04-19
Phosphonic acid, (1-cyano-3-hydroxypropyl)-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic acid, (1-cyano-3-hydroxypropyl)-, diethyl ester
- 2-diethoxyphosphoryl-4-hydroxybutanenitrile
- 648921-30-6
- DTXSID30800636
- diethyl (1-cyano-3-hydroxypropyl)phosphonate
-
- Inchi： 1S/C8H16NO4P/c1-3-12-14(11,13-4-2)8(7-9)5-6-10/h8,10H,3-6H2,1-2H3
- InChI Key： CTFFACJIJSZSDA-UHFFFAOYSA-N
- SMILES： P(C(C#N)CCO)(=O)(OCC)OCC
Computed Properties
- Exact Mass: 221.08178
- Monoisotopic Mass: 221.08169499g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 237
- 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: 79.6?2
Experimental Properties
- PSA: 79.55
Phosphonic acid, (1-cyano-3-hydroxypropyl)-, diethyl ester Related Literature
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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