Cas no 55502-79-9 (1,1,7-Heptanetricarboxylic acid, triethyl ester)
55502-79-9 structure
Product Name:1,1,7-Heptanetricarboxylic acid, triethyl ester
CAS No:55502-79-9
MF:C16H28O6
MW:316.389925956726
CID:351759
PubChem ID:12679373
Update Time:2025-04-19
1,1,7-Heptanetricarboxylic acid, triethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,1,7-Heptanetricarboxylic acid, triethyl ester
- triethyl heptane-1,1,7-tricarboxylate
- DTXSID20506635
- 55502-79-9
- YUNCXLSNVIKKDW-UHFFFAOYSA-N
- SCHEMBL11598732
-
- Inchi： 1S/C16H28O6/c1-4-20-14(17)12-10-8-7-9-11-13(15(18)21-5-2)16(19)22-6-3/h13H,4-12H2,1-3H3
- InChI Key： YUNCXLSNVIKKDW-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)CCCCCCC(=O)OCC)=O
Computed Properties
- Exact Mass: 316.18864
- Monoisotopic Mass: 316.18858861g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 15
- Complexity: 322
- 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: 3.4
- Topological Polar Surface Area: 78.9?2
Experimental Properties
- PSA: 78.9
1,1,7-Heptanetricarboxylic acid, triethyl ester Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
55502-79-9 (1,1,7-Heptanetricarboxylic acid, triethyl ester) Related Products
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- 596-75-8(Diethyl dibutylmalonate)
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- 2163-48-6(Diethyl propylmalonate)
- 570-08-1(Diethyl 2-Acetylmalonate)
- 759-36-4(Diethyl isopropylmalonate)
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