Cas no 350035-56-2 (Benzenemethanol, 3-butoxy-5-hydroxy-)
350035-56-2 structure
Product Name:Benzenemethanol, 3-butoxy-5-hydroxy-
CAS No:350035-56-2
MF:C11H16O3
MW:196.242943763733
CID:1467456
PubChem ID:59029692
Update Time:2025-04-20
Benzenemethanol, 3-butoxy-5-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 3-butoxy-5-hydroxy-
- DTXSID601299359
- 3-Butoxy-5-hydroxybenzenemethanol
- 350035-56-2
- SCHEMBL7730261
-
- Inchi： 1S/C11H16O3/c1-2-3-4-14-11-6-9(8-12)5-10(13)7-11/h5-7,12-13H,2-4,8H2,1H3
- InChI Key： LXUKIJIOKJLQRO-UHFFFAOYSA-N
- SMILES： O(C1C=C(C=C(CO)C=1)O)CCCC
Computed Properties
- Exact Mass: 196.10998
- Monoisotopic Mass: 196.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 150
- 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: 1.9
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- PSA: 49.69
Benzenemethanol, 3-butoxy-5-hydroxy- Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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