Cas no 163564-55-4 (2-Butenedioic acid,2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2E)- (9CI))
![2-Butenedioic acid,2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2E)- (9CI) structure](https://ossimg.kuujia.com/scimg/164000/163564-55-4x500.png)
163564-55-4 structure
Product Name:2-Butenedioic acid,2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2E)- (9CI)
CAS No:163564-55-4
MF:C20O4
MW:304.211605072021
CID:170821
Update Time:2024-03-06
2-Butenedioic acid,2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2E)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioic acid,2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2E)- (9CI)
- 2-Butenedioicacid, 2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-, (E,E,E)-
- Schizostatin
- (E,E,E)-2-(4,8,12-Trimethyl-3,7,11-tridecatrienyl)-2-butenedioic acid
- 2-Butenedioic acid, 2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2E)- (9CI)
-
- Inchi： 1S/C20O4/c1-15(2)8-5-9-16(3)10-6-11-17(4)12-7-13-18(20(23)24)14-19(21)22
- InChI Key： DXILWXGWJPMFCL-UHFFFAOYSA-N
- SMILES： [C]/C(=[C]/[C][C]/C(=[C]/[C][C]/C(=[C]/[C][C]/C(/C(=O)[O])=[C]/C(=O)[O])/[C])/[C])/[C] |^1:0,2,6,10,16,17,20,21,22,23,^4:3,4,7,8,11,12|
Computed Properties
- Exact Mass: 334.2145
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- XLogP3: 5.231
Experimental Properties
- Density: 1.040±0.06 g/cm3(Predicted)
- Boiling Point: 529.6±50.0 °C(Predicted)
- PSA: 74.6
- pka: 3.56±0.19(Predicted)
2-Butenedioic acid,2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2E)- (9CI) Related Literature
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
163564-55-4 (2-Butenedioic acid,2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2E)- (9CI)) Related Products
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier
CN Supplier
Bulk
Jiangsu Kolod Food Ingredients Co.,ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
