Cas no 59810-21-8 (Heptadecanetetracarboxylic acid, 1-methyl ester)
59810-21-8 structure
Product Name:Heptadecanetetracarboxylic acid, 1-methyl ester
CAS No:59810-21-8
MF:C22H35O8
MW:427.508507966995
CID:337228
PubChem ID:71442684
Update Time:2025-04-19
Heptadecanetetracarboxylic acid, 1-methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Heptadecanetetracarboxylic acid, 1-methyl ester
- 1-methoxycarbonylheptadecane-1,1,2-tricarboxylate
- 59810-21-8
- DTXSID30851547
- 1-Methoxy-1-oxooctadecane-2,2,3-tricarboxylate
-
- Inchi： 1S/C22H38O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18(23)24)22(19(25)26,20(27)28)21(29)30-2/h17H,3-16H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/p-3
- InChI Key： ZPCLAULAOIHSIG-UHFFFAOYSA-K
- SMILES： O(C)C(C(C(=O)[O-])(C(=O)[O-])C(C(=O)[O-])CCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 427.23325
- Monoisotopic Mass: 427.23319307g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 30
- Rotatable Bond Count: 17
- Complexity: 513
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.8
- Topological Polar Surface Area: 147?2
Experimental Properties
- PSA: 146.69
Heptadecanetetracarboxylic acid, 1-methyl ester Related Literature
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
59810-21-8 (Heptadecanetetracarboxylic 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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