Cas no 102629-92-5 (2-hydroxy-3-phenylmethoxypropanenitrile)
102629-92-5 structure
Product Name:2-hydroxy-3-phenylmethoxypropanenitrile
CAS No:102629-92-5
MF:C10H11NO2
MW:177.199842691422
CID:1136036
PubChem ID:13419471
Update Time:2025-04-20
2-hydroxy-3-phenylmethoxypropanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-hydroxy-3-phenylmethoxypropanenitrile
- 3-(Benzyloxy)-2-hydroxypropanenitrile
- 102629-92-5
- DTXSID20540231
-
- Inchi： 1S/C10H11NO2/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10,12H,7-8H2
- InChI Key： GYIQKOCXLVJCMS-UHFFFAOYSA-N
- SMILES： O(CC(C#N)O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 177.07903
- Monoisotopic Mass: 177.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 179
- 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: 0.7
- Topological Polar Surface Area: 53.2?2
Experimental Properties
- PSA: 53.25
2-hydroxy-3-phenylmethoxypropanenitrile Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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