Cas no 646518-45-8 (2-Propen-1-ol, 3-(6-methoxy-3-pyridinyl)-2-methyl-, (2E)-)
646518-45-8 structure
Product Name:2-Propen-1-ol, 3-(6-methoxy-3-pyridinyl)-2-methyl-, (2E)-
CAS No:646518-45-8
MF:C10H13NO2
MW:179.215722799301
CID:419859
PubChem ID:69261014
Update Time:2025-04-19
2-Propen-1-ol, 3-(6-methoxy-3-pyridinyl)-2-methyl-, (2E)- Chemical and Physical Properties
Names and Identifiers
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- 2-Propen-1-ol, 3-(6-methoxy-3-pyridinyl)-2-methyl-, (2E)-
- 3-(6-methoxypyridin-3-yl)-2-methylprop-2-en-1-ol
- DTXSID20740133
- 646518-45-8
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- Inchi: 1S/C10H13NO2/c1-8(7-12)5-9-3-4-10(13-2)11-6-9/h3-6,12H,7H2,1-2H3
- InChI Key: UJQKPSJFQYXMMX-UHFFFAOYSA-N
- SMILES: O(C)C1=CC=C(C=N1)C=C(C)CO
Computed Properties
- Exact Mass: 179.09469
- Monoisotopic Mass: 179.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 180
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.5
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- PSA: 42.35
2-Propen-1-ol, 3-(6-methoxy-3-pyridinyl)-2-methyl-, (2E)- Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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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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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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