Cas no 55464-76-1 (2-Butenedioic acid(2E)-, mono-2-propenyl ester (9CI))
55464-76-1 structure
Product Name:2-Butenedioic acid(2E)-, mono-2-propenyl ester (9CI)
CAS No:55464-76-1
MF:C7H8O4
MW:156.136022567749
CID:369673
PubChem ID:6436904
Update Time:2025-04-19
2-Butenedioic acid(2E)-, mono-2-propenyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioic acid(2E)-, mono-2-propenyl ester (9CI)
- Allyl hydrogen fumarate
- DTXSID7062403
- (E)-4-oxo-4-prop-2-enoxybut-2-enoic acid
- DTXSID701287981
- EINECS 259-652-1
- NS00089360
- SCHEMBL39644
- (E)-4-(Allyloxy)-4-oxobut-2-enoic acid
- 2-Butenedioic acid (2Z)-, mono-2-propenyl ester
- 55464-76-1
- 44981-48-8
- 2-Butenedioic acid (2Z)-, 1-(2-propen-1-yl) ester
- Allyl hydrogen 2-butenedioate
- AKOS006275006
- starbld0048839
- EINECS 256-174-5
- 1-(2-Propen-1-yl) (2E)-2-butenedioate
- SCHEMBL39643
- EINECS 219-358-6
-
- Inchi： 1S/C7H8O4/c1-2-5-11-7(10)4-3-6(8)9/h2-4H,1,5H2,(H,8,9)/b4-3+
- InChI Key： PEKZMKOVRVVTTN-ONEGZZNKSA-N
- SMILES： O(C(/C=C/C(=O)O)=O)CC=C
Computed Properties
- Exact Mass: 156.04224
- Monoisotopic Mass: 156.042259
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 193
- 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: 63.6
- XLogP3: 0.5
Experimental Properties
- PSA: 63.6
2-Butenedioic acid(2E)-, mono-2-propenyl ester (9CI) Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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2. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Lianqin Wang,Rachida Bance-Soualhi,Julia Ponce-González,Pilar Ocón,Edson A. Ticianelli,Daniel K. Whelligan,John R. Varcoe J. Mater. Chem. A, 2018,6, 24330-24341
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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