Cas no 824430-26-4 (2-Butenedioic acid, 2,3-dimethyl-, monomethyl ester)
824430-26-4 structure
Product Name:2-Butenedioic acid, 2,3-dimethyl-, monomethyl ester
CAS No:824430-26-4
MF:C7H10O4
MW:158.151902675629
CID:690840
PubChem ID:58696693
Update Time:2025-04-19
2-Butenedioic acid, 2,3-dimethyl-, monomethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioic acid, 2,3-dimethyl-, monomethyl ester
- 4-methoxy-2,3-dimethyl-4-oxobut-2-enoate
- SCHEMBL7771273
- SCHEMBL5843201
- 4-METHOXY-2,3-DIMETHYL-4-OXOBUT-2-ENOIC ACID
- 824430-26-4
- (E)-4-methoxy-2,3-dimethyl-4-oxobut-2-enoic acid
- 111829-46-0
-
- Inchi： 1S/C7H10O4/c1-4(6(8)9)5(2)7(10)11-3/h1-3H3,(H,8,9)/b5-4+
- InChI Key： LWJREZNLVACGTD-SNAWJCMRSA-N
- SMILES： O(C)C(/C(/C)=C(/C(=O)O)\C)=O
Computed Properties
- Exact Mass: 158.05790880g/mol
- Monoisotopic Mass: 158.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 215
- 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: 0.6
- Topological Polar Surface Area: 63.6?2
2-Butenedioic acid, 2,3-dimethyl-, monomethyl ester Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
824430-26-4 (2-Butenedioic acid, 2,3-dimethyl-, monomethyl ester) Related Products
- 6622-76-0(Methyl tiglate)
- 14316-68-8(2-Butenoic acid,2-methyl-, 1,1'-anhydride, (2E,2'E)-)
- 5837-78-5(Ethyl tiglate)
- 1567-14-2(2-Methyl (E)-2-Methyl-2-pentenoate)
- 17041-60-0(Dimethyl ethylidenemalonate)
- 61692-83-9(Propyl tiglate)
- 22035-53-6(Dimethyl isopropylidenemalonate)
- 5953-76-4(Angelic Acid Methyl Ester)
- 617-54-9(Dimethyl citraconate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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