| CAS Number | 1355172-95-0 |
| Catalog Number | AG00HU6X(AGN-PC-0WAGCG) |
| Chemical Name | 6-(Benzyloxy)-2-methylnicotinic acid |
| IUPAC Name | 2-methyl-6-phenylmethoxypyridine-3-carboxylic acid |
| InChI | InChI=1S/C14H13NO3/c1-10-12(14(16)17)7-8-13(15-10)18-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,17) |
| InChI Key | ZOBDRGGYULBDGX-UHFFFAOYSA-N |
| MDL Number | MFCD21089095 |
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.2579 |
| SMILES | C(C1=CC=CC=C1)OC1=NC(=C(C(=O)O)C=C1)C |
| Synonyms | 6-(Benzyloxy)-2-methylnicotinic Acid,
1355172-95-0,
6-(benzyloxy)-2-methylpyridine-3-carboxylic acid,
6-Benzyloxy-2-methylpyridine-3-carboxylic acid,
6408AJ,
MFCD21089095,
ZINC72224459,
AKOS018444451,
KS-000008K8,
AS-51534,
SY028651,
CS-0050387,
MFCD21089095 (95%),
2-methyl-6-phenylmethoxypyridine-3-carboxylic acid,
C14H13NO3,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.262g/mol |
| Monoisotopic Mass | 243.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number