Cas no 450360-73-3 (1H-Imidazole-5-carboxylicacid, 4-(1-oxopropyl)-, methyl ester)
450360-73-3 structure
Product Name:1H-Imidazole-5-carboxylicacid, 4-(1-oxopropyl)-, methyl ester
CAS No:450360-73-3
MF:C8H10N2O3
MW:182.176601886749
CID:327780
PubChem ID:45076455
Update Time:2025-04-19
1H-Imidazole-5-carboxylicacid, 4-(1-oxopropyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-5-carboxylicacid, 4-(1-oxopropyl)-, methyl ester
- 1H-Imidazole-4-carboxylicacid,5-(1-oxopropyl)-,methylester(9CI)
- 5-(1-oxopropyl)-1H-Imidazole-4-carboxylic acid methyl ester
- methyl 4-propanoyl-1H-imidazole-5-carboxylate
- AG-F-57194
- CTK4I8598
- 450360-73-3
- DTXSID50663144
- FT-0735593
-
- Inchi： 1S/C8H10N2O3/c1-3-5(11)6-7(8(12)13-2)10-4-9-6/h4H,3H2,1-2H3,(H,9,10)
- InChI Key： VPKPEOCRZHLYKA-UHFFFAOYSA-N
- SMILES： O(C)C(C1=C(C(CC)=O)N=CN1)=O
Computed Properties
- Exact Mass: 182.06900
- Monoisotopic Mass: 182.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 217
- 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
- Topological Polar Surface Area: 72A^2
- XLogP3: 0.7
Experimental Properties
- PSA: 72.05000
- LogP: 0.78900
1H-Imidazole-5-carboxylicacid, 4-(1-oxopropyl)-, methyl ester Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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