Cas no 59810-20-7 (Heptadecanetricarboxylic acid, 1-methyl ester)
59810-20-7 structure
Product Name:Heptadecanetricarboxylic acid, 1-methyl ester
CAS No:59810-20-7
MF:C21H36O6
MW:384.506947517395
CID:337229
PubChem ID:71442685
Update Time:2025-04-19
Heptadecanetricarboxylic acid, 1-methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Heptadecanetricarboxylic acid, 1-methyl ester
- 2-hexadecyl-2-methoxycarbonylpropanedioate
- Hexadecyl(methoxycarbonyl)propanedioate
- 59810-20-7
- DTXSID90851548
-
- Inchi： 1S/C21H38O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(18(22)23,19(24)25)20(26)27-2/h3-17H2,1-2H3,(H,22,23)(H,24,25)/p-2
- InChI Key： YCGWUQZSSVNTAQ-UHFFFAOYSA-L
- SMILES： O(C)C(C(C(=O)[O-])(C(=O)[O-])CCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 384.25128
- Monoisotopic Mass: 384.25118886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 17
- Complexity: 407
- 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: 9.2
- Topological Polar Surface Area: 107?2
Experimental Properties
- PSA: 106.56
Heptadecanetricarboxylic acid, 1-methyl ester Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
59810-20-7 (Heptadecanetricarboxylic acid, 1-methyl ester) Related Products
- 27132-23-6(Dimethyl diethylmalonate)
- 39520-24-6(Dimethyl 2-Isobutylmalonate)
- 6914-71-2(Dimethyl 1,1-Cyclopropanedicarboxylate)
- 113020-21-6(1-methoxycarbonylcyclopropanecarboxylic acid)
- 3779-29-1(1,1-diethyl cyclobutane-1,1-dicarboxylate)
- 40967-67-7(2-Methoxycarbonyl-succinic acid dimethyl ester)
- 14035-96-2(Dimethyl 2-propylmalonate)
- 596-75-8(Diethyl dibutylmalonate)
- 2163-48-6(Diethyl propylmalonate)
- 10203-58-4(Diethyl isobutylmalonate)
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