Cas no 658059-71-3 (1,3-Benzenedicarboxylic acid, 4-[[(2-hydroxyethyl)amino]carbonyl]-)
![1,3-Benzenedicarboxylic acid, 4-[[(2-hydroxyethyl)amino]carbonyl]- structure](https://ossimg.kuujia.com/scimg/658500/658059-71-3x500.png)
658059-71-3 structure
Product Name:1,3-Benzenedicarboxylic acid, 4-[[(2-hydroxyethyl)amino]carbonyl]-
CAS No:658059-71-3
MF:C11H11NO6
MW:253.208143472672
CID:397260
PubChem ID:71375374
Update Time:2025-04-19
1,3-Benzenedicarboxylic acid, 4-[[(2-hydroxyethyl)amino]carbonyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, 4-[[(2-hydroxyethyl)amino]carbonyl]-
- 4-(2-hydroxyethylcarbamoyl)benzene-1,3-dicarboxylic acid
- 658059-71-3
- DTXSID40798111
- 4-[(2-HYDROXYETHYL)CARBAMOYL]BENZENE-1,3-DICARBOXYLIC ACID
-
- Inchi： 1S/C11H11NO6/c13-4-3-12-9(14)7-2-1-6(10(15)16)5-8(7)11(17)18/h1-2,5,13H,3-4H2,(H,12,14)(H,15,16)(H,17,18)
- InChI Key： AATDDGNNFLZQID-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(C(=O)O)=CC=1C(=O)O)NCCO
Computed Properties
- Exact Mass: 253.05863
- Monoisotopic Mass: 253.05863707g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 342
- 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: -0.4
- Topological Polar Surface Area: 124?2
Experimental Properties
- PSA: 123.93
1,3-Benzenedicarboxylic acid, 4-[[(2-hydroxyethyl)amino]carbonyl]- Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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