Cas no 110690-16-9 (Benzenepropanol,2-(1-hydroxyethyl)-)
110690-16-9 structure
Product Name:Benzenepropanol,2-(1-hydroxyethyl)-
CAS No:110690-16-9
MF:C11H16O2
MW:180.243543624878
CID:128907
PubChem ID:13931793
Update Time:2025-04-18
Benzenepropanol,2-(1-hydroxyethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanol,2-(1-hydroxyethyl)-
- Benzenepropanol, 2-(1-hydroxyethyl)- (9CI)
- 3-[2-(1-hydroxyethyl)phenyl]propan-1-ol
- 110690-16-9
- DTXSID90552801
-
- Inchi： 1S/C11H16O2/c1-9(13)11-7-3-2-5-10(11)6-4-8-12/h2-3,5,7,9,12-13H,4,6,8H2,1H3
- InChI Key： RIJUMYIJQXFPQZ-UHFFFAOYSA-N
- SMILES： OC(C)C1C=CC=CC=1CCCO
Computed Properties
- Exact Mass: 180.11508
- Monoisotopic Mass: 180.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 136
- 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: 1.4
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
- LogP: 1.66480
Benzenepropanol,2-(1-hydroxyethyl)- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
110690-16-9 (Benzenepropanol,2-(1-hydroxyethyl)-) Related Products
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