Cas no 62855-45-2 (Phosphonic acid, [(4-cyano-1-naphthalenyl)methyl]-, diethyl ester)
![Phosphonic acid, [(4-cyano-1-naphthalenyl)methyl]-, diethyl ester structure](https://ossimg.kuujia.com/scimg/63000/62855-45-2x500.png)
62855-45-2 structure
Product Name:Phosphonic acid, [(4-cyano-1-naphthalenyl)methyl]-, diethyl ester
CAS No:62855-45-2
MF:C16H18NO3P
MW:303.292785167694
CID:429851
PubChem ID:54451134
Update Time:2025-04-19
Phosphonic acid, [(4-cyano-1-naphthalenyl)methyl]-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic acid, [(4-cyano-1-naphthalenyl)methyl]-, diethyl ester
- 4-(diethoxyphosphorylmethyl)naphthalene-1-carbonitrile
- DTXSID70711434
- 62855-45-2
- SCHEMBL6787119
- Diethyl [(4-cyanonaphthalen-1-yl)methyl]phosphonate
-
- Inchi： 1S/C16H18NO3P/c1-3-19-21(18,20-4-2)12-14-10-9-13(11-17)15-7-5-6-8-16(14)15/h5-10H,3-4,12H2,1-2H3
- InChI Key： WVAYGVKREJSZHI-UHFFFAOYSA-N
- SMILES： P(CC1C=CC(C#N)=C2C=CC=CC=12)(=O)(OCC)OCC
Computed Properties
- Exact Mass: 303.10254
- Monoisotopic Mass: 303.102
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 421
- 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
- Topological Polar Surface Area: 59.3A^2
- XLogP3: 2.7
Experimental Properties
- PSA: 59.32
- LogP: 4.47758
Phosphonic acid, [(4-cyano-1-naphthalenyl)methyl]-, diethyl ester Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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