Cas no 823195-11-5 (1,3-Benzenedicarboxylic acid, 5-(aminocarbonyl)-, monoethyl ester)
823195-11-5 structure
Product Name:1,3-Benzenedicarboxylic acid, 5-(aminocarbonyl)-, monoethyl ester
CAS No:823195-11-5
MF:C11H10NO5
MW:236.200803279877
CID:695015
PubChem ID:71419455
Update Time:2025-04-19
1,3-Benzenedicarboxylic acid, 5-(aminocarbonyl)-, monoethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, 5-(aminocarbonyl)-, monoethyl ester
- 3-carbamoyl-5-ethoxycarbonylbenzoate
- 3-Carbamoyl-5-(ethoxycarbonyl)benzoate
- DTXSID10838699
- 823195-11-5
-
- Inchi： 1S/C11H11NO5/c1-2-17-11(16)8-4-6(9(12)13)3-7(5-8)10(14)15/h3-5H,2H2,1H3,(H2,12,13)(H,14,15)/p-1
- InChI Key： SQQMJVIFJFRSQG-UHFFFAOYSA-M
- SMILES： O(CC)C(C1C=C(C(=O)[O-])C=C(C(N)=O)C=1)=O
Computed Properties
- Exact Mass: 236.05589742g/mol
- Monoisotopic Mass: 236.05589742g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 322
- 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: 1.2
- Topological Polar Surface Area: 110?2
1,3-Benzenedicarboxylic acid, 5-(aminocarbonyl)-, monoethyl ester Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
823195-11-5 (1,3-Benzenedicarboxylic acid, 5-(aminocarbonyl)-, monoethyl ester) Related Products
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