Cas no 772995-40-1 (1H-Imidazole-2-carboxylicacid, 1-(methoxymethyl)-)
772995-40-1 structure
Product Name:1H-Imidazole-2-carboxylicacid, 1-(methoxymethyl)-
CAS No:772995-40-1
MF:C6H8N2O3
MW:156.139321327209
CID:551777
PubChem ID:21972727
Update Time:2025-04-19
1H-Imidazole-2-carboxylicacid, 1-(methoxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-2-carboxylicacid, 1-(methoxymethyl)-
- 1-(methoxymethyl)imidazole-2-carboxylic acid
- 1H-Imidazole-2-carboxylicacid,1-(methoxymethyl)-(9CI)
- 1-(METHOXYMETHYL)-1H-IMIDAZOLE-2-CARBOXYLIC ACID
- AG-H-08939
- CTK2H5967
- XFEFIWMLQUBMOH-UHFFFAOYSA-N
- SCHEMBL11536106
- 772995-40-1
- DTXSID60620985
-
- Inchi： 1S/C6H8N2O3/c1-11-4-8-3-2-7-5(8)6(9)10/h2-3H,4H2,1H3,(H,9,10)
- InChI Key： XFEFIWMLQUBMOH-UHFFFAOYSA-N
- SMILES： O(C)CN1C=CN=C1C(=O)O
Computed Properties
- Exact Mass: 156.05300
- Monoisotopic Mass: 156.05349212g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 151
- 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: -0.2
- Topological Polar Surface Area: 64.4?2
Experimental Properties
- PSA: 64.35000
- LogP: 0.18520
1H-Imidazole-2-carboxylicacid, 1-(methoxymethyl)- Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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