Cas no 888967-54-2 (4-Pyridinecarbonitrile, 2-[4-(hydroxymethyl)phenoxy]-)
![4-Pyridinecarbonitrile, 2-[4-(hydroxymethyl)phenoxy]- structure](https://ossimg.kuujia.com/scimg/889000/888967-54-2x500.png)
888967-54-2 structure
Product Name:4-Pyridinecarbonitrile, 2-[4-(hydroxymethyl)phenoxy]-
CAS No:888967-54-2
MF:C13H10N2O2
MW:226.230702877045
CID:1938698
PubChem ID:59599470
Update Time:2025-04-21
4-Pyridinecarbonitrile, 2-[4-(hydroxymethyl)phenoxy]- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyridinecarbonitrile, 2-[4-(hydroxymethyl)phenoxy]-
- SCHEMBL3163471
- 888967-54-2
- 2-[4-(Hydroxymethyl)phenoxy]-4-pyridinecarbonitrile
- DB-392423
- AKOS010478079
-
- Inchi： 1S/C13H10N2O2/c14-8-11-5-6-15-13(7-11)17-12-3-1-10(9-16)2-4-12/h1-7,16H,9H2
- InChI Key： CWZNODZTUAJQON-UHFFFAOYSA-N
- SMILES： O(C1C=C(C#N)C=CN=1)C1C=CC(CO)=CC=1
Computed Properties
- Exact Mass: 226.074227566Da
- Monoisotopic Mass: 226.074227566Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 278
- 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: 1.5
- Topological Polar Surface Area: 66.1?2
4-Pyridinecarbonitrile, 2-[4-(hydroxymethyl)phenoxy]- Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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