Cas no 208774-55-4 (2-Amino-6-(ethoxycarbonyl)benzoic acid)
208774-55-4 structure
Product Name:2-Amino-6-(ethoxycarbonyl)benzoic acid
CAS No:208774-55-4
MF:C10H11NO4
MW:209.198642969131
CID:840216
Update Time:2023-08-02
2-Amino-6-(ethoxycarbonyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
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- 1,2-Benzenedicarboxylicacid,3-amino-,1-ethylester(9CI)
- 2-amino-6-ethoxycarbonylbenzoic acid
- 2-amino-6-(ethoxycarbonyl)benzoic acid
- 1,2-benzenedicarboxylic acid,3-amino-,1-ethyl ester
- 2-Amino-6-(ethoxycarbonyl)benzoic acid
-
- Inchi： 1S/C10H11NO4/c1-2-15-10(14)6-4-3-5-7(11)8(6)9(12)13/h3-5H,2,11H2,1H3,(H,12,13)
- InChI Key： PLTFHBGWHNJEHP-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC=C(C=1C(=O)O)N)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 254
- XLogP3: 2.1
- Topological Polar Surface Area: 89.6
Experimental Properties
- Density: 1.318
2-Amino-6-(ethoxycarbonyl)benzoic acid Related Literature
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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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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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