Cas no 61936-90-1 (Cyclopropanehexacarboxylic acid, hexaethyl ester)
61936-90-1 structure
Product Name:Cyclopropanehexacarboxylic acid, hexaethyl ester
CAS No:61936-90-1
MF:C21H30O12
MW:474.455708026886
CID:1632794
PubChem ID:2884837
Update Time:2025-04-21
Cyclopropanehexacarboxylic acid, hexaethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclopropanehexacarboxylic acid, hexaethyl ester
- hexaethyl cyclopropane-1,1,2,2,3,3-hexacarboxylate
- DTXSID10387253
- CB06091
- CBMicro_004204
- 61936-90-1
- SMSF0013465
- BIM-0004253.P001
-
- Inchi: 1S/C21H30O12/c1-7-28-13(22)19(14(23)29-8-2)20(15(24)30-9-3,16(25)31-10-4)21(19,17(26)32-11-5)18(27)33-12-6/h7-12H2,1-6H3
- InChI Key: GYCJESZSAKYIQR-UHFFFAOYSA-N
- SMILES: O(CC)C(C1(C(=O)OCC)C(C(=O)OCC)(C(=O)OCC)C1(C(=O)OCC)C(=O)OCC)=O
Computed Properties
- Exact Mass: 474.1737
- Monoisotopic Mass: 474.17372639g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 33
- Rotatable Bond Count: 18
- Complexity: 629
- 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: 158?2
Experimental Properties
- PSA: 157.8
Cyclopropanehexacarboxylic acid, hexaethyl ester Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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