Cas no 93273-61-1 (4-(Carboxymethyl)-2-(2-methylphenoxy)benzoic acid)
93273-61-1 structure
Product Name:4-(Carboxymethyl)-2-(2-methylphenoxy)benzoic acid
CAS No:93273-61-1
MF:C16H14O5
MW:286.279365062714
CID:2816768
PubChem ID:13347274
Update Time:2025-04-21
4-(Carboxymethyl)-2-(2-methylphenoxy)benzoic acid Chemical and Physical Properties
Names and Identifiers
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- 4-(Carboxymethyl)-2-(2-methylphenoxy)benzoic acid
- 93273-61-1
- DTXSID10537751
-
- Inchi： 1S/C16H14O5/c1-10-4-2-3-5-13(10)21-14-8-11(9-15(17)18)6-7-12(14)16(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
- InChI Key： ZDEWMERQQMBOID-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1C)C1=C(C(=O)O)C=CC(CC(=O)O)=C1
Computed Properties
- Exact Mass: 286.08412354Da
- Monoisotopic Mass: 286.08412354Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 381
- 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: 2.8
- Topological Polar Surface Area: 83.8?2
4-(Carboxymethyl)-2-(2-methylphenoxy)benzoic acid Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Xiuxia Yang,Lei Zhao,Zhichao Liu,Shuyu Tian,Hao Zhang,Xuhui Xu,Jianbei Qiu,Xue Yu Phys. Chem. Chem. Phys., 2020,22, 16294-16300
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