Cas no 62308-23-0 (Phosphonic acid, [(2-cyano-5-methylphenyl)methyl]-, diethyl ester)
![Phosphonic acid, [(2-cyano-5-methylphenyl)methyl]-, diethyl ester structure](https://ossimg.kuujia.com/scimg/62500/62308-23-0x500.png)
62308-23-0 structure
Product Name:Phosphonic acid, [(2-cyano-5-methylphenyl)methyl]-, diethyl ester
CAS No:62308-23-0
MF:C13H18NO3P
MW:267.260684490204
CID:449916
PubChem ID:71387703
Update Time:2025-04-19
Phosphonic acid, [(2-cyano-5-methylphenyl)methyl]-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic acid, [(2-cyano-5-methylphenyl)methyl]-, diethyl ester
- 2-(diethoxyphosphorylmethyl)-4-methylbenzonitrile
- DTXSID00809813
- 62308-23-0
- Diethyl [(2-cyano-5-methylphenyl)methyl]phosphonate
-
- Inchi： 1S/C13H18NO3P/c1-4-16-18(15,17-5-2)10-13-8-11(3)6-7-12(13)9-14/h6-8H,4-5,10H2,1-3H3
- InChI Key： POBKNLVSHLAFFO-UHFFFAOYSA-N
- SMILES： P(CC1C(C#N)=CC=C(C)C=1)(=O)(OCC)OCC
Computed Properties
- Exact Mass: 267.10254
- Monoisotopic Mass: 267.10243043g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 339
- 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: 1.8
- Topological Polar Surface Area: 59.3?2
Experimental Properties
- PSA: 59.32
- LogP: 3.63278
Phosphonic acid, [(2-cyano-5-methylphenyl)methyl]-, diethyl ester Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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