| CAS Number | 834884-81-0 |
| Catalog Number | AG003RTR |
| Chemical Name | Methyl 4-(6-formylpyridin-2-yl)benzoate |
| IUPAC Name | methyl 4-(6-formylpyridin-2-yl)benzoate |
| InChI | InChI=1S/C14H11NO3/c1-18-14(17)11-7-5-10(6-8-11)13-4-2-3-12(9-16)15-13/h2-9H,1H3 |
| InChI Key | SCXISFHBTLKUGI-UHFFFAOYSA-N |
| MDL Number | MFCD07368907 |
| Molecular Formula | C14H11NO3 |
| Molecular Weight | 241.2420 |
| SMILES | C(=O)C1=CC=CC(=N1)C1=CC=C(C(=O)OC)C=C1 |
| Synonyms | Methyl 4-(6-formylpyridin-2-yl)benzoate,
834884-81-0,
ACMC-20akgv,
SCHEMBL302398,
CTK8C5564,
DTXSID40584677,
ZINC25757686,
TC-166198,
Methyl 4-(6-formylpyridin-2-yl)benzoate, 97%,
4-(6-Formyl-2-pyridyl)benzoic acid methyl ester,
METHYL 4-(6-FORMYLPYRIDIN-2-YL)BENZOATE&,
METHYL4- BENZOATE&,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.246g/mol |
| Monoisotopic Mass | 241.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 56.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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