(1-methyl-2-oxopyridin-4-yl)boronic acid - CAS 1351413-50-7
Catalog: |
BB054402 |
Product Name: |
(1-methyl-2-oxopyridin-4-yl)boronic acid |
CAS: |
1351413-50-7 |
Synonyms: |
(1-Methyl-2-oxo-1,2-dihydropyridin-4-yl)boronic acid; 1-methyl-2-oxo-1,2-dihydro-pyridine-4-boronic acid; 1-methyl-2-oxo-1,2-dihydropyridin-4-ylboronic acid |
IUPAC Name: | (1-methyl-2-oxopyridin-4-yl)boronic acid |
Molecular Weight: | 152.95 |
Molecular Formula: | C6H8BNO3 |
Canonical SMILES: | B(C1=CC(=O)N(C=C1)C)(O)O |
InChI: | InChI=1S/C6H8BNO3/c1-8-3-2-5(7(10)11)4-6(8)9/h2-4,10-11H,1H3 |
InChI Key: | QIFVXSLMFCRLCB-UHFFFAOYSA-N |
Boiling Point: | 356.2±52.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.0597233 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.0597233 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 60.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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