Cas no 57281-49-9 (Butanenitrile, 3-hydroxy-4-phenoxy-)
57281-49-9 structure
Product Name:Butanenitrile, 3-hydroxy-4-phenoxy-
CAS No:57281-49-9
MF:C10H11NO2
MW:177.199842691422
CID:345878
PubChem ID:495720
Update Time:2025-04-19
Butanenitrile, 3-hydroxy-4-phenoxy- Chemical and Physical Properties
Names and Identifiers
-
- Butanenitrile, 3-hydroxy-4-phenoxy-
- 3-hydroxy-4-phenoxybutanenitrile
- 3-hydroxy-4-phenoxy-butyronitrile
- DTXSID20333261
- NSC666729
- 3-hydroxy-4-phenoxy-butanenitrile
- 57281-49-9
-
- Inchi： 1S/C10H11NO2/c11-7-6-9(12)8-13-10-4-2-1-3-5-10/h1-5,9,12H,6,8H2
- InChI Key： KJJPPYGFSUFUAH-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)CC(CC#N)O
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: 1
- Topological Polar Surface Area: 53.2?2
Experimental Properties
- PSA: 53.25
Butanenitrile, 3-hydroxy-4-phenoxy- Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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