Cas no 5070-15-5 (Ethanedioic acid, bis(4-nitrophenyl) ester)
5070-15-5 structure
Product Name:Ethanedioic acid, bis(4-nitrophenyl) ester
CAS No:5070-15-5
MF:C14H8N2O8
MW:332.221923828125
CID:364247
PubChem ID:12772743
Update Time:2025-04-19
Ethanedioic acid, bis(4-nitrophenyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Ethanedioic acid, bis(4-nitrophenyl) ester
- 5070-15-5
- DTXSID40509502
- SCHEMBL7063519
- InChI=1/C14H8N2O8/c17-13(23-11-5-1-9(2-6-11)15(19)20)14(18)24-12-7-3-10(4-8-12)16(21)22/h1-8
- Bis(4-nitrophenyl) Oxalate
- Bis(4-nitrophenyl) ethanedioate
-
- Inchi： 1S/C14H8N2O8/c17-13(23-11-5-1-9(2-6-11)15(19)20)14(18)24-12-7-3-10(4-8-12)16(21)22/h1-8H
- InChI Key： YRUMDDXIKVNSLE-UHFFFAOYSA-N
- SMILES： O(C(C(=O)OC1C=CC(=CC=1)[N+](=O)[O-])=O)C1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 332.02804
- Monoisotopic Mass: 332.02806522g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 24
- Rotatable Bond Count: 5
- Complexity: 450
- 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: 3.2
- Topological Polar Surface Area: 144?2
Experimental Properties
- PSA: 138.88
Ethanedioic acid, bis(4-nitrophenyl) ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
5070-15-5 (Ethanedioic acid, bis(4-nitrophenyl) ester) Related Products
- 1798-11-4(4-Nitrophenoxyacetic Acid)
- 19076-89-2(Ethyl 2-(4-nitrophenoxy)acetate)
- 19786-48-2(Methyl 4-Nitrophenoxyacetate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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