Cas no 163164-08-7 (Benzenemethanol,3-(1,3-dioxan-2-yl)-)
163164-08-7 structure
Product Name:Benzenemethanol,3-(1,3-dioxan-2-yl)-
CAS No:163164-08-7
MF:C11H14O3
MW:194.227063655853
CID:110146
PubChem ID:10375362
Update Time:2025-04-18
Benzenemethanol,3-(1,3-dioxan-2-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol,3-(1,3-dioxan-2-yl)-
- [3-(1,3-dioxan-2-yl)phenyl]methanol
- Benzenemethanol, 3-(1,3-dioxan-2-yl)- (9CI)
- 163164-08-7
- DTXSID60438885
-
- Inchi： 1S/C11H14O3/c12-8-9-3-1-4-10(7-9)11-13-5-2-6-14-11/h1,3-4,7,11-12H,2,5-6,8H2
- InChI Key： HORPKZDGZYMCSW-UHFFFAOYSA-N
- SMILES： O1CCCOC1C1C=CC=C(CO)C=1
Computed Properties
- Exact Mass: 194.09432
- Monoisotopic Mass: 194.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 166
- 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: 0.8
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.69
Benzenemethanol,3-(1,3-dioxan-2-yl)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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