Cas no 27409-39-8 (2-Butenedioic acid(2Z)-, didocosyl ester (9CI))
27409-39-8 structure
Product Name:2-Butenedioic acid(2Z)-, didocosyl ester (9CI)
CAS No:27409-39-8
MF:C48H92O4
MW:733.241696357727
CID:251151
PubChem ID:44607769
Update Time:2025-04-19
2-Butenedioic acid(2Z)-, didocosyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioic acid(2Z)-, didocosyl ester (9CI)
- 4-docosoxy-4-oxobut-2-enoate
- BEHENYL MALEATE
- 1-Docosanol,maleate (2:1) (8CI)
- Maleicacid,didocosyl ester (8CI)
- 27409-39-8
- didocosyl (Z)-but-2-enedioate
- SCHEMBL4989949
-
- Inchi： 1S/C48H92O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-45-51-47(49)43-44-48(50)52-46-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-44H,3-42,45-46H2,1-2H3/b44-43-
- InChI Key： STDUJGRYOCDXBT-HFDYVGAYSA-N
- SMILES： O(C(/C=C\C(=O)OCCCCCCCCCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 732.70000
- Monoisotopic Mass: 732.69956141g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 52
- Rotatable Bond Count: 46
- Complexity: 672
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 22.2
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.60000
- LogP: 16.27280
2-Butenedioic acid(2Z)-, didocosyl ester (9CI) Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
27409-39-8 (2-Butenedioic acid(2Z)-, didocosyl ester (9CI)) Related Products
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