Cas no 5469-28-3 (2-Butenedioic acid,2-propyl-, (2E)-)
5469-28-3 structure
Product Name:2-Butenedioic acid,2-propyl-, (2E)-
CAS No:5469-28-3
MF:C7H10O4
MW:158.151902675629
CID:383116
PubChem ID:5355090
Update Time:2025-04-19
2-Butenedioic acid,2-propyl-, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioic acid,2-propyl-, (2E)-
- (E)-2-propylbut-2-enedioic acid
- 2-propylbut-2-enedioic acid
- 2-Butenedioicacid, 2-propyl-, (E)- (9CI)
- 2-propylfumaric acid
- AC1L5JGB
- AG-F-90602
- AG-K-75884
- CTK5A2304
- CTK6D3109
- Fumaric acid, propyl- (6CI)
- n-propylfumaric acid
- propyl-fumaric acid
- Propylfumaric acid
- Propyl-fumarsaeure
- NSC25310
- 5469-28-3
- NSC-25310
- Athylmesaconsaure
- SCHEMBL155966
-
- Inchi： 1S/C7H10O4/c1-2-3-5(7(10)11)4-6(8)9/h4H,2-3H2,1H3,(H,8,9)(H,10,11)/b5-4+
- InChI Key： CCKSYUMJLIMSQK-SNAWJCMRSA-N
- SMILES： OC(/C(=C/C(=O)O)/CCC)=O
Computed Properties
- Exact Mass: 158.0579
- Monoisotopic Mass: 158.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- 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
- XLogP3: 0.9
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
- LogP: 0.88210
2-Butenedioic acid,2-propyl-, (2E)- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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