6-(Benzyloxy)-5-methylpyridine-3-carboxylic acid - CAS 1355200-80-4
Catalog: |
BB073240 |
Product Name: |
6-(Benzyloxy)-5-methylpyridine-3-carboxylic acid |
CAS: |
1355200-80-4 |
Synonyms: |
6-(Benzyloxy)-5-methylpyridine-3-carboxylic acid; 5-methyl-6-phenylmethoxypyridine-3-carboxylic acid; 6-(Benzyloxy)-5-methylpyridine-3-carboxylicacid |
IUPAC Name: | 5-methyl-6-phenylmethoxypyridine-3-carboxylic acid |
Description: | 6-(Benzyloxy)-5-methylpyridine-3-carboxylic acid |
Molecular Weight: | 243.25 |
Molecular Formula: | C14H13NO3 |
Canonical SMILES: | CC1=CC(=CN=C1OCC2=CC=CC=C2)C(=O)O |
InChI: | InChI=1S/C14H13NO3/c1-10-7-12(14(16)17)8-15-13(10)18-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,17) |
InChI Key: | JPQRFYWNNMSASJ-UHFFFAOYSA-N |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.08954328 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 59.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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