Cas no 63037-42-3 (1,4-Benzenedicarboxylic acid, 2,5-bis(aminocarbonyl)-, dimethyl ester)
63037-42-3 structure
Product Name:1,4-Benzenedicarboxylic acid, 2,5-bis(aminocarbonyl)-, dimethyl ester
CAS No:63037-42-3
MF:C12H12N2O6
MW:280.233483314514
CID:390408
PubChem ID:71373470
Update Time:2025-04-19
1,4-Benzenedicarboxylic acid, 2,5-bis(aminocarbonyl)-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1,4-Benzenedicarboxylic acid, 2,5-bis(aminocarbonyl)-, dimethyl ester
- dimethyl 2,5-dicarbamoylbenzene-1,4-dicarboxylate
- 63037-42-3
- DTXSID20796291
-
- Inchi： 1S/C12H12N2O6/c1-19-11(17)7-3-6(10(14)16)8(12(18)20-2)4-5(7)9(13)15/h3-4H,1-2H3,(H2,13,15)(H2,14,16)
- InChI Key： CWBODLDPZULRPG-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=C(C(N)=O)C(C(=O)OC)=CC=1C(N)=O)=O
Computed Properties
- Exact Mass: 280.06953611g/mol
- Monoisotopic Mass: 280.06953611g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 396
- 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: -0.6
- Topological Polar Surface Area: 139?2
1,4-Benzenedicarboxylic acid, 2,5-bis(aminocarbonyl)-, dimethyl ester Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
63037-42-3 (1,4-Benzenedicarboxylic acid, 2,5-bis(aminocarbonyl)-, dimethyl ester) Related Products
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