Cas no 88975-07-9 (Propanedioic acid, methyl(2-methyl-4-nitrophenyl)-, diethyl ester)
88975-07-9 structure
Product Name:Propanedioic acid, methyl(2-methyl-4-nitrophenyl)-, diethyl ester
CAS No:88975-07-9
MF:C15H19NO6
MW:309.31446480751
CID:617449
PubChem ID:13758015
Update Time:2025-04-19
Propanedioic acid, methyl(2-methyl-4-nitrophenyl)-, diethyl ester Chemical and Physical Properties
Names and Identifiers
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- Propanedioic acid, methyl(2-methyl-4-nitrophenyl)-, diethyl ester
- diethyl 2-methyl-2-(2-methyl-4-nitrophenyl)propanedioate
- DTXSID90548547
- Diethyl methyl(2-methyl-4-nitrophenyl)propanedioate
- 88975-07-9
-
- Inchi： 1S/C15H19NO6/c1-5-21-13(17)15(4,14(18)22-6-2)12-8-7-11(16(19)20)9-10(12)3/h7-9H,5-6H2,1-4H3
- InChI Key： AWJQRPJFSMEARO-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)(C)C1C=CC(=CC=1C)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 309.12123733g/mol
- Monoisotopic Mass: 309.12123733g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 412
- 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: 3.1
- Topological Polar Surface Area: 98.4?2
Propanedioic acid, methyl(2-methyl-4-nitrophenyl)-, diethyl ester Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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2. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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