Cas no 2969-87-1 (Hexanedioic acid,1-ethenyl 6-methyl ester)
2969-87-1 structure
Product Name:Hexanedioic acid,1-ethenyl 6-methyl ester
Hexanedioic acid,1-ethenyl 6-methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanedioic acid,1-ethenyl 6-methyl ester
- 6-O-ethenyl 1-O-methyl hexanedioate
- AC1L2BB8
- ADIPIC ACID, METHYL VINYL ESTER
- Adipinsaeure-methylester-vinylester
- Adipinsaeurevinylmethylester
- BRN 1911309
- Hexanedioic acid, ethenyl methyl ester
- Hexanedioic acid, ethenyl methyl ester (9CI)
- LS-15262
- Methyl vinyl adipate
- Methylvinyladipat
- Methyl-vinyl-adipat
- Vinyl methyladipate
- Vinylmethyladipat
- Vinyl-methyl-adipat
- DTXSID40183846
- SCHEMBL6135743
- 2969-87-1
- AKOS006275905
-
- Inchi: 1S/C9H14O4/c1-3-13-9(11)7-5-4-6-8(10)12-2/h3H,1,4-7H2,2H3
- InChI Key: ABUZDQCQXDZFRG-UHFFFAOYSA-N
- SMILES: O(C)C(CCCCC(=O)OC=C)=O
Computed Properties
- Exact Mass: 186.08922
- Monoisotopic Mass: 186.089209
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 186
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 52.6
Experimental Properties
- Density: 1.1006 (rough estimate)
- Boiling Point: 240.69°C (rough estimate)
- Flash Point: 105°C
- Refractive Index: 1.4129 (estimate)
- PSA: 52.6
- LogP: 1.40650
Hexanedioic acid,1-ethenyl 6-methyl ester Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
2969-87-1 (Hexanedioic acid,1-ethenyl 6-methyl ester) Related Products
- 4704-31-8(Vinyl Decanoate)
- 21306-13-8(Docosanoic acid,ethenyl ester)
- 693-38-9(Vinyl Palmitate (stabilized with MEHQ))
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- 111-63-7(Vinyl Stearate (stabilized with MEHQ))
- 818-44-0(Vinyl n-Octanoate (stabilized with MEHQ))
- 5299-57-0(Vinyl 10-Undecenoate)
- 5809-91-6(VinylMyristate(stabilizedwithMEHQ))
- 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)
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