Cas no 89590-27-2 (2-Butenedioic acid, 2-butyl-, dimethyl ester, (E)-)
89590-27-2 structure
Product Name:2-Butenedioic acid, 2-butyl-, dimethyl ester, (E)-
CAS No:89590-27-2
MF:C10H16O4
MW:200.231643676758
CID:595497
PubChem ID:54165630
Update Time:2025-04-19
2-Butenedioic acid, 2-butyl-, dimethyl ester, (E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioic acid, 2-butyl-, dimethyl ester, (E)-
- dimethyl 2-butylbut-2-enedioate
- 89590-27-2
- DTXSID30709478
-
- Inchi： 1S/C10H16O4/c1-4-5-6-8(10(12)14-3)7-9(11)13-2/h7H,4-6H2,1-3H3
- InChI Key： ORLKEYRZGMSXMF-UHFFFAOYSA-N
- SMILES： O(C)C(C(=CC(=O)OC)CCCC)=O
Computed Properties
- Exact Mass: 200.105
- Monoisotopic Mass: 200.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 230
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 52.6A^2
- XLogP3: 2.1
2-Butenedioic acid, 2-butyl-, dimethyl ester, (E)- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
89590-27-2 (2-Butenedioic acid, 2-butyl-, dimethyl ester, (E)-) Related Products
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