Cas no 50984-35-5 (Propanedioic acid,2-(2-buten-1-ylidene)-, 1,3-dimethyl ester)
50984-35-5 structure
Product Name:Propanedioic acid,2-(2-buten-1-ylidene)-, 1,3-dimethyl ester
CAS No:50984-35-5
MF:C9H12O4
MW:184.189183235168
CID:380238
PubChem ID:5947447
Update Time:2025-04-19
Propanedioic acid,2-(2-buten-1-ylidene)-, 1,3-dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid,2-(2-buten-1-ylidene)-, 1,3-dimethyl ester
- dimethyl 2-but-2-enylidenepropanedioate
- 50984-35-5
- NSC-128089
- NSC128089
-
- Inchi： 1S/C9H12O4/c1-4-5-6-7(8(10)12-2)9(11)13-3/h4-6H,1-3H3/b5-4-
- InChI Key： LPOZQNLOUFXDEB-PLNGDYQASA-N
- SMILES： O(C)C(/C(/C(=O)OC)=C\C=C/C)=O
Computed Properties
- Exact Mass: 184.07356
- Monoisotopic Mass: 184.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 232
- 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: 1.6
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
- LogP: 0.83490
Propanedioic acid,2-(2-buten-1-ylidene)-, 1,3-dimethyl ester Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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