Cas no 62889-60-5 (Benzenehexanoic acid, 4-hydroxy-, ethyl ester)
62889-60-5 structure
Product Name:Benzenehexanoic acid, 4-hydroxy-, ethyl ester
CAS No:62889-60-5
MF:C14H20O3
MW:236.306804656982
CID:1641415
PubChem ID:12392955
Update Time:2025-04-21
Benzenehexanoic acid, 4-hydroxy-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenehexanoic acid, 4-hydroxy-, ethyl ester
- ethyl 6-(4-hydroxyphenyl)hexanoate
- SCHEMBL5545488
- 62889-60-5
- DTXSID80496068
-
- Inchi： 1S/C14H20O3/c1-2-17-14(16)7-5-3-4-6-12-8-10-13(15)11-9-12/h8-11,15H,2-7H2,1H3
- InChI Key： NJAFVYVDZQYPMU-UHFFFAOYSA-N
- SMILES： O(CC)C(CCCCCC1C=CC(=CC=1)O)=O
Computed Properties
- Exact Mass: 236.1413
- Monoisotopic Mass: 236.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 208
- 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: 3.5
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Benzenehexanoic acid, 4-hydroxy-, ethyl ester Related Literature
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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