Cas no 923571-42-0 (2-Butenoic acid, (4-methoxyphenyl)methyl ester, (2E)-)
923571-42-0 structure
Product Name:2-Butenoic acid, (4-methoxyphenyl)methyl ester, (2E)-
CAS No:923571-42-0
MF:C12H14O3
MW:206.237763881683
CID:737109
PubChem ID:71445687
Update Time:2025-04-19
2-Butenoic acid, (4-methoxyphenyl)methyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
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- 2-Butenoic acid, (4-methoxyphenyl)methyl ester, (2E)-
- (4-methoxyphenyl)methyl but-2-enoate
- DTXSID00854202
- 923571-42-0
-
- Inchi： 1S/C12H14O3/c1-3-4-12(13)15-9-10-5-7-11(14-2)8-6-10/h3-8H,9H2,1-2H3
- InChI Key： LAQIXNDRSOLATB-UHFFFAOYSA-N
- SMILES： O(C(C=CC)=O)CC1C=CC(=CC=1)OC
Computed Properties
- Exact Mass: 206.094294304g/mol
- Monoisotopic Mass: 206.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 215
- 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
- XLogP3: 3
- Topological Polar Surface Area: 35.5?2
2-Butenoic acid, (4-methoxyphenyl)methyl ester, (2E)- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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