Cas no 52039-64-2 (1H-Imidazole-5-carboxylicacid,1-ethenyl-,methylester(9CI))
52039-64-2 structure
Product Name:1H-Imidazole-5-carboxylicacid,1-ethenyl-,methylester(9CI)
CAS No:52039-64-2
MF:C7H8N2O2
MW:152.150621414185
CID:1017250
PubChem ID:45082041
Update Time:2025-04-20
1H-Imidazole-5-carboxylicacid,1-ethenyl-,methylester(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-5-carboxylicacid,1-ethenyl-,methylester(9CI)
- methyl 3-ethenylimidazole-4-carboxylate
- DTXSID40665051
- Methyl 1-ethenyl-1H-imidazole-5-carboxylate
- 52039-64-2
-
- Inchi： 1S/C7H8N2O2/c1-3-9-5-8-4-6(9)7(10)11-2/h3-5H,1H2,2H3
- InChI Key： LLLVLGUXBYLNHE-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CN=CN1C=C)=O
Computed Properties
- Exact Mass: 152.058577502g/mol
- Monoisotopic Mass: 152.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 170
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 44.1?2
1H-Imidazole-5-carboxylicacid,1-ethenyl-,methylester(9CI) Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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