Methyl 5-hydroxypyrazine-2-carboxylate - CAS 13924-95-3
Catalog: |
BB043876 |
Product Name: |
Methyl 5-hydroxypyrazine-2-carboxylate |
CAS: |
13924-95-3 |
Synonyms: |
CBI-BB ZERO/008486; 5-HYDROXY-PYRAZINE-2-CARBOXYLIC ACID METHYL ESTER; METHYL 5-HYDROXYPYRAZINE-2-CARBOXYLATE; 5-HYDROXY-PYRAZINE-2-CARBOXYLIC ACID METHYL ESTER 95%; Methyl 5-oxo-4,5-dihydro-2-pyrazinecarboxylate; Methyl 5-hydropyrazine-2-carboxylate |
IUPAC Name: | methyl 6-oxo-1H-pyrazine-3-carboxylate |
Description: | Methyl 5-hydroxypyrazine-2-carboxylate (CAS# 13924-95-3 ) is a useful research chemical. |
Molecular Weight: | 154.12 |
Molecular Formula: | C6H6N2O3 |
Canonical SMILES: | COC(=O)C1=CNC(=O)C=N1 |
InChI: | InChI=1S/C6H6N2O3/c1-11-6(10)4-2-8-5(9)3-7-4/h2-3H,1H3,(H,8,9) |
InChI Key: | VNFXNPFSTYYFCZ-UHFFFAOYSA-N |
Boiling Point: | 424.1 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.39 g/cm3 |
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 |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.03784206 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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Related Functional Groups
Oxygen Compounds
Pyrazines
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