Cas no 62456-94-4 (4-Octenedioic acid, 2,7-diethyl-, monoethyl ester)
62456-94-4 structure
Product Name:4-Octenedioic acid, 2,7-diethyl-, monoethyl ester
CAS No:62456-94-4
MF:C14H23O4
MW:255.330024957657
CID:444168
PubChem ID:71386222
Update Time:2025-04-19
4-Octenedioic acid, 2,7-diethyl-, monoethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Octenedioic acid, 2,7-diethyl-, monoethyl ester
- 7-ethoxycarbonyl-2-ethylnon-4-enoate
- 7-(Ethoxycarbonyl)-2-ethylnon-4-enoate
- 62456-94-4
- DTXSID60808408
-
- Inchi： 1S/C14H24O4/c1-4-11(13(15)16)9-7-8-10-12(5-2)14(17)18-6-3/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,15,16)/p-1
- InChI Key： MYOBPVFLDUGTTM-UHFFFAOYSA-M
- SMILES： O(CC)C(C(CC)CC=CCC(C(=O)[O-])CC)=O
Computed Properties
- Exact Mass: 255.15969
- Monoisotopic Mass: 255.15963421g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 278
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.7
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.43
4-Octenedioic acid, 2,7-diethyl-, monoethyl ester Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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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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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
62456-94-4 (4-Octenedioic acid, 2,7-diethyl-, monoethyl ester) Related Products
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