Cas no 2787-63-5 (2-Butenedioic acid(2E)-, dinonyl ester (9CI))
2787-63-5 structure
Product Name:2-Butenedioic acid(2E)-, dinonyl ester (9CI)
CAS No:2787-63-5
MF:C22H40O4
MW:368.550607681274
CID:257310
PubChem ID:6436917
Update Time:2025-04-19
2-Butenedioic acid(2E)-, dinonyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioic acid(2E)-, dinonyl ester (9CI)
- dinonyl but-2-enedioate
- dinonyl (2E)-but-2-enedioate
- Dinonyl fumarate
- SCHEMBL1530995
- 2787-63-5
- NS00083560
- PQJYOOFQDXGDDS-ISLYRVAYSA-N
- 1,4-Dinonyl (2E)-2-butenedioate
- DTXSID401304522
- EINECS 220-514-0
- SCHEMBL123565
- Fumaric acid, dinonyl ester
-
- Inchi： 1S/C22H40O4/c1-3-5-7-9-11-13-15-19-25-21(23)17-18-22(24)26-20-16-14-12-10-8-6-4-2/h17-18H,3-16,19-20H2,1-2H3/b18-17+
- InChI Key： PQJYOOFQDXGDDS-ISLYRVAYSA-N
- SMILES： O(C(/C=C/C(=O)OCCCCCCCCC)=O)CCCCCCCCC
Computed Properties
- Exact Mass: 368.2928
- Monoisotopic Mass: 368.29266
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 20
- Complexity: 329
- 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
- Topological Polar Surface Area: 52.6
- XLogP3: 8.1
Experimental Properties
- Density: 0.939
- Boiling Point: 445.3°Cat760mmHg
- Flash Point: 208.6°C
- Refractive Index: 1.46
- PSA: 52.6
2-Butenedioic acid(2E)-, dinonyl ester (9CI) Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
2787-63-5 (2-Butenedioic acid(2E)-, dinonyl ester (9CI)) Related Products
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