Methyl 2-Oxo-2,3-dihydrobenzimidazole-5-carboxylate - CAS 106429-57-6
Catalog: |
BB001867 |
Product Name: |
Methyl 2-Oxo-2,3-dihydrobenzimidazole-5-carboxylate |
CAS: |
106429-57-6 |
Synonyms: |
2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid methyl ester; methyl 2-oxo-1,3-dihydrobenzimidazole-5-carboxylate |
IUPAC Name: | methyl 2-oxo-1,3-dihydrobenzimidazole-5-carboxylate |
Description: | Methyl 2-Oxo-2,3-dihydrobenzimidazole-5-carboxylate (CAS# 106429-57-6) is a useful research chemical. |
Molecular Weight: | 192.17 |
Molecular Formula: | C9H8N2O3 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=C1)NC(=O)N2 |
InChI: | InChI=1S/C9H8N2O3/c1-14-8(12)5-2-3-6-7(4-5)11-9(13)10-6/h2-4H,1H3,(H2,10,11,13) |
InChI Key: | KZBROPAHLBJQQC-UHFFFAOYSA-N |
Boiling Point: | 221.2 °C at 760 mmHg |
Density: | 1.325 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD08457979 |
LogP: | 0.64280 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110776494-A | Benzyl piperidine-benzimidazole derivative or pharmaceutically acceptable salt thereof, preparation method and application | 20191112 |
CN-110776494-B | Benzyl piperidine-benzimidazole derivative or pharmaceutically acceptable salt thereof, preparation method and application | 20191112 |
US-2020325121-A1 | Glp-1r agonists and uses thereof | 20190412 |
WO-2020207474-A1 | Glp-1r agonists and uses thereof | 20190412 |
US-10954221-B2 | GLP-1R agonists and uses thereof | 20190412 |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.05349212 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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