3-Benzoylpyridine-2-carboxylic acid - CAS 64362-32-9
Catalog: |
BB032448 |
Product Name: |
3-Benzoylpyridine-2-carboxylic acid |
CAS: |
64362-32-9 |
Synonyms: |
3-benzoylpyridine-2-carboxylic acid |
IUPAC Name: | 3-benzoylpyridine-2-carboxylic acid |
Description: | 3-Benzoylpyridine-2-carboxylic acid (CAS# 64362-32-9) is a useful research chemical. |
Molecular Weight: | 227.22 |
Molecular Formula: | C13H9NO3 |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)C2=C(N=CC=C2)C(=O)O |
InChI: | InChI=1S/C13H9NO3/c15-12(9-5-2-1-3-6-9)10-7-4-8-14-11(10)13(16)17/h1-8H,(H,16,17) |
InChI Key: | YERHKEWRHQIXFY-UHFFFAOYSA-N |
Boiling Point: | 467.1 °C at 760 mmHg |
Melting Point: | 151-155 °C (lit.) |
Purity: | 95 % |
Density: | 1.311 g/cm3 |
MDL: | MFCD00209545 |
LogP: | 2.01080 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 297 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.058243149 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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Pyridines
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