Cas no 144368-21-8 (Butanedioic acid,ethylidene-, (E)- (9CI))
144368-21-8 structure
Product Name:Butanedioic acid,ethylidene-, (E)- (9CI)
CAS No:144368-21-8
MF:C6H8O4
MW:144.125322341919
CID:139386
PubChem ID:6438940
Update Time:2025-04-19
Butanedioic acid,ethylidene-, (E)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,ethylidene-, (E)- (9CI)
- (E)-Ethylidenesuccinicacid
- 3-Methylitaconate
- AKOS006374421
- 144368-21-8
- CHEMBL4761396
- (E)-Ethylidenesuccinic acid
- (2E)-2-ethylidenebutanedioic acid
- SCHEMBL6365923
- DTXSID201347631
- 102714-66-9
-
- Inchi： 1S/C6H8O4/c1-2-4(6(9)10)3-5(7)8/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+
- InChI Key： NRSMWHGLCNBZSO-DUXPYHPUSA-N
- SMILES： OC(C/C(/C(=O)O)=C\C)=O
Computed Properties
- Exact Mass: 144.04224
- Monoisotopic Mass: 144.042
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 180
- 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: 74.6A^2
- XLogP3: 0.1
Experimental Properties
- Density: 1.573?g/mL?at 25?°C(lit.)
- Melting Point: 165-168?°C(lit.)
- Boiling Point: 379.3 oC at 760 mmHg
- Flash Point: 197.3 oC
- PSA: 74.6
- LogP: 0.10190
Butanedioic acid,ethylidene-, (E)- (9CI) Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
3. 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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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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