Cas no 86162-89-2 (Propanedioic acid, (2,6-dinitrophenyl)-, dimethyl ester)
86162-89-2 structure
Product Name:Propanedioic acid, (2,6-dinitrophenyl)-, dimethyl ester
CAS No:86162-89-2
MF:C11H10N2O8
MW:298.205703258514
CID:662500
PubChem ID:13134407
Update Time:2025-04-19
Propanedioic acid, (2,6-dinitrophenyl)-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, (2,6-dinitrophenyl)-, dimethyl ester
- dimethyl 2-(2,6-dinitrophenyl)propanedioate
- 86162-89-2
- SCHEMBL3536336
- WIAKOLJCYZCKDR-UHFFFAOYSA-N
- dimethyl-2-(2,6-dinitrophenyl)-malonate
- DTXSID90520989
- Dimethyl (2,6-dinitrophenyl)propanedioate
-
- Inchi： 1S/C11H10N2O8/c1-20-10(14)9(11(15)21-2)8-6(12(16)17)4-3-5-7(8)13(18)19/h3-5,9H,1-2H3
- InChI Key： WIAKOLJCYZCKDR-UHFFFAOYSA-N
- SMILES： O(C)C(C(C(=O)OC)C1C(=CC=CC=1[N+](=O)[O-])[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 298.04371528g/mol
- Monoisotopic Mass: 298.04371528g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 403
- 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: 1.5
- Topological Polar Surface Area: 144?2
Propanedioic acid, (2,6-dinitrophenyl)-, dimethyl ester Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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