Methyl 2-Oxo-2,3-dihydro-1H-imidazole-4-carboxylate - CAS 20901-53-5
Catalog: |
BB016395 |
Product Name: |
Methyl 2-Oxo-2,3-dihydro-1H-imidazole-4-carboxylate |
CAS: |
20901-53-5 |
Synonyms: |
2-oxo-1,3-dihydroimidazole-4-carboxylic acid methyl ester; methyl 2-oxo-1,3-dihydroimidazole-4-carboxylate |
IUPAC Name: | methyl 2-oxo-1,3-dihydroimidazole-4-carboxylate |
Description: | Methyl 2-Oxo-2,3-dihydro-1H-imidazole-4-carboxylate (CAS# 20901-53-5 ) is a useful research chemical. |
Molecular Weight: | 142.11 |
Molecular Formula: | C5H6N2O3 |
Canonical SMILES: | COC(=O)C1=CNC(=O)N1 |
InChI: | InChI=1S/C5H6N2O3/c1-10-4(8)3-2-6-5(9)7-3/h2H,1H3,(H2,6,7,9) |
InChI Key: | LMOLZFSPLCXIHV-UHFFFAOYSA-N |
Density: | 1.338 g/cm3 |
LogP: | -0.09810 |
Publication Number | Title | Priority Date |
AU-2018275552-A1 | Substituted nitrogen containing compounds | 20170601 |
CA-3065309-A1 | Substituted nitrogen containing compounds | 20170601 |
CN-110678463-A | Substituted nitrogen-containing compounds | 20170601 |
EP-3630752-A1 | Substituted nitrogen containing compounds | 20170601 |
KR-20200011986-A | Substituted Nitrogen-Containing Compounds | 20170601 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.03784206 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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