Cas no 89805-06-1 (Pentanenitrile, 4-hydroxy-5-phenoxy-)
89805-06-1 structure
Product Name:Pentanenitrile, 4-hydroxy-5-phenoxy-
CAS No:89805-06-1
MF:C11H13NO2
MW:191.226423025131
CID:588840
PubChem ID:71326208
Update Time:2025-04-19
Pentanenitrile, 4-hydroxy-5-phenoxy- Chemical and Physical Properties
Names and Identifiers
-
- Pentanenitrile, 4-hydroxy-5-phenoxy-
- 4-hydroxy-5-phenoxypentanenitrile
- 89805-06-1
- DTXSID30755435
-
- Inchi： 1S/C11H13NO2/c12-8-4-5-10(13)9-14-11-6-2-1-3-7-11/h1-3,6-7,10,13H,4-5,9H2
- InChI Key： HBEDHDBUUJRLKD-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)CC(CCC#N)O
Computed Properties
- Exact Mass: 191.094628657g/mol
- Monoisotopic Mass: 191.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 191
- 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: 1.3
- Topological Polar Surface Area: 53.2?2
Pentanenitrile, 4-hydroxy-5-phenoxy- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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