Cas no 612489-68-6 (Propanedioic acid, (13E)-13-docosenyl-)
612489-68-6 structure
Product Name:Propanedioic acid, (13E)-13-docosenyl-
CAS No:612489-68-6
MF:C25H46O4
MW:410.630348682404
CID:487147
PubChem ID:71397805
Update Time:2025-04-19
Propanedioic acid, (13E)-13-docosenyl- Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, (13E)-13-docosenyl-
- 2-docos-13-enylpropanedioic acid
- 612489-68-6
- (Docos-13-en-1-yl)propanedioic acid
- DTXSID30819268
-
- Inchi： 1S/C25H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24(26)27)25(28)29/h9-10,23H,2-8,11-22H2,1H3,(H,26,27)(H,28,29)
- InChI Key： NLUZWUZYMNJICA-UHFFFAOYSA-N
- SMILES： OC(C(C(=O)O)CCCCCCCCCCCCC=CCCCCCCCC)=O
Computed Properties
- Exact Mass: 410.33978
- Monoisotopic Mass: 410.33960994g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 29
- Rotatable Bond Count: 22
- Complexity: 403
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 10.3
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Propanedioic acid, (13E)-13-docosenyl- Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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