Cas no 112032-18-5 (3-phenylmethoxypropanenitrile oxide)
112032-18-5 structure
Product Name:3-phenylmethoxypropanenitrile oxide
CAS No:112032-18-5
MF:C10H11NO2
MW:177.199842691422
CID:2607886
PubChem ID:71336014
Update Time:2025-04-21
3-phenylmethoxypropanenitrile oxide Chemical and Physical Properties
Names and Identifiers
-
- 3-phenylmethoxypropanenitrile oxide
- DTXSID40763889
- 112032-18-5
- 3-(BENZYLOXY)PROPANENITRILE OXIDE
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- Inchi： 1S/C10H11NO2/c12-11-7-4-8-13-9-10-5-2-1-3-6-10/h1-3,5-6H,4,8-9H2
- InChI Key： YHBYTPYRAOJDDU-UHFFFAOYSA-N
- SMILES： O(CCC#[N+][O-])CC1C=CC=CC=1
Computed Properties
- Exact Mass: 177.078978594Da
- Monoisotopic Mass: 177.078978594Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 186
- 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: 0.7
- Topological Polar Surface Area: 39.9?2
3-phenylmethoxypropanenitrile oxide Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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