Cas no 61186-99-0 (2,4-Hexadienedioic acid, monoethyl ester, (Z,Z)-)
61186-99-0 structure
Product Name:2,4-Hexadienedioic acid, monoethyl ester, (Z,Z)-
CAS No:61186-99-0
MF:C8H9O4
MW:169.154662847519
CID:489291
PubChem ID:71398497
Update Time:2025-04-19
2,4-Hexadienedioic acid, monoethyl ester, (Z,Z)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Hexadienedioic acid, monoethyl ester, (Z,Z)-
- 6-ethoxy-6-oxohexa-2,4-dienoate
- DTXSID00819917
- 61186-99-0
-
- Inchi： 1S/C8H10O4/c1-2-12-8(11)6-4-3-5-7(9)10/h3-6H,2H2,1H3,(H,9,10)/p-1
- InChI Key： YBLSYYBXEJACDQ-UHFFFAOYSA-M
- SMILES： O(C(C=CC=CC(=O)[O-])=O)CC
Computed Properties
- Exact Mass: 169.05007
- Monoisotopic Mass: 169.05008376g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 210
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 1.5
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.43
2,4-Hexadienedioic acid, monoethyl ester, (Z,Z)- Related Literature
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1. 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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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
61186-99-0 (2,4-Hexadienedioic acid, monoethyl ester, (Z,Z)-) Related Products
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- 2960-66-9(Ethyl trans-4-oxo-2-butenoate)
- 3990-03-2((2Z)-2-Butenedioic Acid 1-Ethyl Ester, ~ 90%)
- 10544-63-5(Crotonic Acid Ethyl Ester)
- 141-05-9(Diethyl maleate)
- 999-21-3(Diallyl maleate)
- 20474-93-5(Allyl crotonate)
- 2396-84-1(Sorbic Acid Ethyl Ester)
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