Cas no 24393-13-3 (3-(1,3-Dioxan-2-yl)phenol)
3-(1,3-Dioxan-2-yl)phenol structure
Product Name:3-(1,3-Dioxan-2-yl)phenol
CAS No:24393-13-3
MF:C10H12O3
MW:180.200483322144
CID:2837421
PubChem ID:698281
Update Time:2025-04-21
3-(1,3-Dioxan-2-yl)phenol Chemical and Physical Properties
Names and Identifiers
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- DTXCID80302413
- AKOS006239036
- SCHEMBL7388541
- DTXSID00351347
- 24393-13-3
- Oprea1_617142
- 3-(1,3-Dioxan-2-yl)phenol
-
- Inchi： 1S/C10H12O3/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10-11H,2,5-6H2
- InChI Key： VHJWMDJIOFWMIG-UHFFFAOYSA-N
- SMILES： O1CCCOC1C1C=CC=C(C=1)O
Computed Properties
- Exact Mass: 180.078644241Da
- Monoisotopic Mass: 180.078644241Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 154
- 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: 1.3
- Topological Polar Surface Area: 38.7?2
3-(1,3-Dioxan-2-yl)phenol Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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4. Agricultural
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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