Cas no 62351-70-6 (1,2,4-Benzenetricarboxylic acid, 5-amino-, 4-ethyl ester)
62351-70-6 structure
Product Name:1,2,4-Benzenetricarboxylic acid, 5-amino-, 4-ethyl ester
CAS No:62351-70-6
MF:C11H9NO6
MW:251.192263364792
CID:448282
PubChem ID:71387273
Update Time:2025-04-19
1,2,4-Benzenetricarboxylic acid, 5-amino-, 4-ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Benzenetricarboxylic acid, 5-amino-, 4-ethyl ester
- 4-amino-5-ethoxycarbonylphthalate
- DTXSID10809405
- 62351-70-6
- 4-Amino-5-(ethoxycarbonyl)benzene-1,2-dicarboxylate
-
- Inchi： 1S/C11H11NO6/c1-2-18-11(17)7-3-5(9(13)14)6(10(15)16)4-8(7)12/h3-4H,2,12H2,1H3,(H,13,14)(H,15,16)/p-2
- InChI Key： LZQXFBBABIIZHI-UHFFFAOYSA-L
- SMILES： O(CC)C(C1C=C(C(=O)[O-])C(C(=O)[O-])=CC=1N)=O
Computed Properties
- Exact Mass: 251.04297
- Monoisotopic Mass: 251.04298701g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 344
- 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: 2.4
- Topological Polar Surface Area: 133?2
Experimental Properties
- PSA: 132.58
1,2,4-Benzenetricarboxylic acid, 5-amino-, 4-ethyl ester Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
62351-70-6 (1,2,4-Benzenetricarboxylic acid, 5-amino-, 4-ethyl ester) Related Products
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