2-Phenylimidazole-4-carboxylic Acid Hydrate - CAS 1052410-02-2
Catalog: |
BB001586 |
Product Name: |
2-Phenylimidazole-4-carboxylic Acid Hydrate |
CAS: |
1052410-02-2 |
Synonyms: |
2-phenyl-1H-imidazole-5-carboxylic acid;hydrate; 2-phenyl-1H-imidazole-5-carboxylic acid;hydrate |
IUPAC Name: | 2-phenyl-1H-imidazole-5-carboxylic acid;hydrate |
Description: | 2-Phenylimidazole-4-carboxylic Acid Hydrate (CAS# 1052410-02-2) is a useful research chemical. |
Molecular Weight: | 206.20 |
Molecular Formula: | C10H10N2O3 |
Canonical SMILES: | C1=CC=C(C=C1)C2=NC=C(N2)C(=O)O.O |
InChI: | InChI=1S/C10H8N2O2.H2O/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7;/h1-6H,(H,11,12)(H,13,14);1H2 |
InChI Key: | YIVKWERKOGOQBV-UHFFFAOYSA-N |
LogP: | 1.71060 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2375899-A1 | Piperidine-containing compounds and use thereof | 20090112 |
JP-2012515162-A | Piperidine-containing compounds and uses thereof | 20090112 |
JP-5683489-B2 | Piperidine-containing compounds and uses thereof | 20090112 |
US-2011275608-A1 | Piperidine-containing compounds and use thereof | 20090112 |
US-8809538-B2 | Piperidine-containing compounds and use thereof | 20090112 |
PMID | Publication Date | Title | Journal |
18830158 | 20080925 | Imidazole-based potential Bi- and tridentate nitrogen ligands: synthesis, characterization and application in asymmetric catalysis | Molecules (Basel, Switzerland) |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.06914219 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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