| CAS Number | 893736-60-2 |
| Catalog Number | AG003XAZ(AGN-PC-0WRA8G) |
| Chemical Name | Methyl 3-(6-methoxypyridin-3-yl)benzoate |
| IUPAC Name | methyl 3-(6-methoxypyridin-3-yl)benzoate |
| InChI | InChI=1S/C14H13NO3/c1-17-13-7-6-12(9-15-13)10-4-3-5-11(8-10)14(16)18-2/h3-9H,1-2H3 |
| InChI Key | SSKKWWBDWOOGMQ-UHFFFAOYSA-N |
| MDL Number | MFCD06801890 |
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.2579 |
| SMILES | COc1ccc(cn1)c1cccc(c1)C(=O)OC |
| Synonyms | Methyl 3-(6-methoxypyridin-3-yl)benzoate,
893736-60-2,
methyl 3-(6-methoxy-3-pyridinyl)benzoate,
AC1NGFVZ,
ACMC-209r0b,
CTK8B2617,
DTXSID70405447,
ZINC6715207,
ANW-39273,
MFCD06801890,
AKOS004117480,
CJ-13084,
TC-128018,
BB 0222830,
V8801,
B-8652,
C14H13NO3,
CID4674262,
|
| Complexity | 282 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.262g/mol |
| Monoisotopic Mass | 243.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number