2-Oxo-2,3-dihydro-1H-imidazole-4-carboxylic Acid - CAS 39828-47-2
Catalog: |
BB024151 |
Product Name: |
2-Oxo-2,3-dihydro-1H-imidazole-4-carboxylic Acid |
CAS: |
39828-47-2 |
Synonyms: |
2-oxo-1,3-dihydroimidazole-4-carboxylic acid; 2-oxo-1,3-dihydroimidazole-4-carboxylic acid |
IUPAC Name: | 2-oxo-1,3-dihydroimidazole-4-carboxylic acid |
Description: | 2-Oxo-2,3-dihydro-1H-imidazole-4-carboxylic Acid (CAS# 39828-47-2) is used as a reactant in the enantioselective strategy to the spirocyclic core of palau'amine and related bisguanidine marine alkaloids. |
Molecular Weight: | 128.09 |
Molecular Formula: | C4H4N2O3 |
Canonical SMILES: | C1=C(NC(=O)N1)C(=O)O |
InChI: | InChI=1S/C4H4N2O3/c7-3(8)2-1-5-4(9)6-2/h1H,(H,7,8)(H2,5,6,9) |
InChI Key: | XJSWLMGZMRUNLP-UHFFFAOYSA-N |
Density: | 1.584 g/cm3 |
Appearance: | Solid |
MDL: | MFCD01547735 |
LogP: | -0.59880 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020269194-A1 | Porous membrane containing metal-organic frameworks | 20190226 |
US-2021323960-A1 | Fused tri-cyclic compound as pde3/pde4 dual inhibitor | 20180713 |
AU-2017217184-A1 | Substituted 2-oxyimidazolyl-carboxamides as pest control agents | 20160211 |
CA-3013963-A1 | Substituted 2-oxyimidazolyl-carboxamides as pest control agents | 20160211 |
EP-3414237-A1 | Substituted 2-oxyimidazolyl-carboxamides as pest control agents | 20160211 |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.02219199 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.02219199 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.1 |
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