Cas no 1220529-82-7 (Dimethyl 5-(aminomethyl)benzene-1,3-dioate)
1220529-82-7 structure
Product Name:Dimethyl 5-(aminomethyl)benzene-1,3-dioate
CAS No:1220529-82-7
MF:C11H13NO4
MW:223.225223302841
CID:2101346
Update Time:2023-08-03
Dimethyl 5-(aminomethyl)benzene-1,3-dioate Chemical and Physical Properties
Names and Identifiers
-
- dimethyl 5-(aminomethyl)benzene-1,3-dioate
- AB56382
- Dimethyl 5-(aminomethyl)benzene-1,3-dioate
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- Inchi： 1S/C11H13NO4/c1-15-10(13)8-3-7(6-12)4-9(5-8)11(14)16-2/h3-5H,6,12H2,1-2H3
- InChI Key： VCPZJTZIGFWICK-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=C(C(=O)OC)C=C(CN)C=1)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 243
- Topological Polar Surface Area: 78.6
Dimethyl 5-(aminomethyl)benzene-1,3-dioate Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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