Cas no 90296-19-8 (2-(3,5-dimethylbenzyloxy)acetic acid)
90296-19-8 structure
Product Name:2-(3,5-dimethylbenzyloxy)acetic acid
CAS No:90296-19-8
MF:C11H14O3
MW:194.227063655853
CID:2104276
PubChem ID:44385926
Update Time:2025-04-21
2-(3,5-dimethylbenzyloxy)acetic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(3,5-dimethylbenzyloxy)acetic acid
- 90296-19-8
- DA-01297
- CHEMBL174589
-
- Inchi： 1S/C11H14O3/c1-8-3-9(2)5-10(4-8)6-14-7-11(12)13/h3-5H,6-7H2,1-2H3,(H,12,13)
- InChI Key： RGSWYXONQNNOIC-UHFFFAOYSA-N
- SMILES： O(CC(=O)O)CC1C=C(C)C=C(C)C=1
Computed Properties
- Exact Mass: 194.094294304Da
- Monoisotopic Mass: 194.094294304Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 181
- 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: 46.5?2
2-(3,5-dimethylbenzyloxy)acetic acid Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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