| CAS Number | 1370587-25-9 |
| Catalog Number | AG00IRN6(AGN-PC-0WAXY1) |
| Chemical Name | Methyl 4-[5-(hydroxymethyl)pyridin-2-yl]benzoate |
| IUPAC Name | methyl 4-[5-(hydroxymethyl)pyridin-2-yl]benzoate |
| InChI | InChI=1S/C14H13NO3/c1-18-14(17)12-5-3-11(4-6-12)13-7-2-10(9-16)8-15-13/h2-8,16H,9H2,1H3 |
| InChI Key | LDDGTWKKGGTSIS-UHFFFAOYSA-N |
| MDL Number | MFCD22126100 |
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.2579 |
| SMILES | O=C(OC)C2(=CC=C(C1(=NC=C(CO)C=C1))C=C2) |
| Synonyms | methyl 4-[5-(hydroxymethyl)pyridin-2-yl]benzoate,
1370587-25-9,
SCHEMBL11125851,
ZX-AT014109,
MFCD22126100,
ZINC72190665,
AKOS015991241,
AG-0725,
MCULE-9211401792,
OR61165,
KS-0000224A,
5-(Hydroxymethyl)-2-[4-(methoxycarbonyl)phenyl]pyridine, {6-[4-(Methoxycarbonyl)phenyl]pyridin-3-yl}methanol,
|
| Complexity | 274 |
| 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 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number