Cas no 89441-54-3 (1,3-Benzenedicarboxylic acid, 2-(methoxyoxoacetyl)-)
89441-54-3 structure
Product Name:1,3-Benzenedicarboxylic acid, 2-(methoxyoxoacetyl)-
CAS No:89441-54-3
MF:C11H8O7
MW:252.177023887634
CID:600643
PubChem ID:71324235
Update Time:2025-04-19
1,3-Benzenedicarboxylic acid, 2-(methoxyoxoacetyl)- Chemical and Physical Properties
Names and Identifiers
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- 1,3-Benzenedicarboxylic acid, 2-(methoxyoxoacetyl)-
- 2-(2-methoxy-2-oxoacetyl)benzene-1,3-dicarboxylic acid
- 89441-54-3
- DTXSID90753730
- 2-[Methoxy(oxo)acetyl]benzene-1,3-dicarboxylic acid
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- Inchi： 1S/C11H8O7/c1-18-11(17)8(12)7-5(9(13)14)3-2-4-6(7)10(15)16/h2-4H,1H3,(H,13,14)(H,15,16)
- InChI Key： MIYGCNLKTNTLFP-UHFFFAOYSA-N
- SMILES： O(C)C(C(C1C(C(=O)O)=CC=CC=1C(=O)O)=O)=O
Computed Properties
- Exact Mass: 252.02700259g/mol
- Monoisotopic Mass: 252.02700259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 365
- 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: 0.7
- Topological Polar Surface Area: 118?2
1,3-Benzenedicarboxylic acid, 2-(methoxyoxoacetyl)- Related Literature
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1. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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