Cas no 80751-03-7 (2-Butenoic acid, 2-acetyl-3-methoxy-, methyl ester)
80751-03-7 structure
Product Name:2-Butenoic acid, 2-acetyl-3-methoxy-, methyl ester
CAS No:80751-03-7
MF:C8H12O4
MW:172.178483009338
CID:705091
PubChem ID:14968848
Update Time:2025-04-19
2-Butenoic acid, 2-acetyl-3-methoxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, 2-acetyl-3-methoxy-, methyl ester
- methyl 2-acetyl-3-methoxybut-2-enoate
- CS-0458906
- SCHEMBL14282781
- Methyl (E)-2-acetyl-3-methoxybut-2-enoate
- 69122-24-3
- 943910-00-7
- MFCD19981463
- 2-Acetyl-3-methoxybut-2-enoic acid methyl ester
- 2-acetyl-3-methoxy-but-2-enoic acid methyl ester
- 80751-03-7
- AS-5927
-
- Inchi： 1S/C8H12O4/c1-5(9)7(6(2)11-3)8(10)12-4/h1-4H3/b7-6+
- InChI Key： CPXBIWUHSXPDLL-VOTSOKGWSA-N
- SMILES： O(C)/C(/C)=C(/C(=O)OC)\C(C)=O
Computed Properties
- Exact Mass: 172.07355886g/mol
- Monoisotopic Mass: 172.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 227
- 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: 52.6?2
2-Butenoic acid, 2-acetyl-3-methoxy-, methyl ester Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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