Cas no 76980-51-3 (Octadecanedioic acid, 7-ethyl-)
76980-51-3 structure
Product Name:Octadecanedioic acid, 7-ethyl-
CAS No:76980-51-3
MF:C20H38O4
MW:342.513327121735
CID:536946
PubChem ID:15607502
Update Time:2025-04-19
Octadecanedioic acid, 7-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- Octadecanedioic acid, 7-ethyl-
- 7-ethyloctadecanedioic acid
- SCHEMBL2483230
- DTXSID00575667
- 76980-51-3
-
- Inchi： 1S/C20H38O4/c1-2-18(15-11-9-13-17-20(23)24)14-10-7-5-3-4-6-8-12-16-19(21)22/h18H,2-17H2,1H3,(H,21,22)(H,23,24)
- InChI Key： WPDNUCQHNPMNEO-UHFFFAOYSA-N
- SMILES： OC(CCCCCC(CC)CCCCCCCCCCC(=O)O)=O
Computed Properties
- Exact Mass: 342.27714
- Monoisotopic Mass: 342.27700969g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 18
- Complexity: 315
- 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: 7.2
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Octadecanedioic acid, 7-ethyl- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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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
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
76980-51-3 (Octadecanedioic acid, 7-ethyl-) Related Products
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