| CAS Number | 834884-66-1 |
| Catalog Number | AG00G7LB(AGN-PC-0WAXRN) |
| Chemical Name | Methyl 4-(5-formylpyridin-2-yl)benzoate |
| IUPAC Name | methyl 4-(5-formylpyridin-2-yl)benzoate |
| InChI | InChI=1S/C14H11NO3/c1-18-14(17)12-5-3-11(4-6-12)13-7-2-10(9-16)8-15-13/h2-9H,1H3 |
| InChI Key | LSJIESUYNCMVJT-UHFFFAOYSA-N |
| MDL Number | MFCD06659609 |
| Molecular Formula | C14H11NO3 |
| Molecular Weight | 241.242 |
| SMILES | O=C(OC)C2(=CC=C(C1(=NC=C(C=O)C=C1))C=C2) |
| Synonyms | methyl 4-(5-formyl-2-pyridinyl)benzenecarboxylate,
834884-66-1,
methyl 4-(5-formylpyridin-2-yl)benzoate,
AC1MC9ZV,
CTK6I9891,
DTXSID80377500,
KS-000021UZ,
ZINC3884526,
0303AF,
MFCD06659609,
SBB099426,
AKOS005071594,
RP13795,
RTR-064103,
methyl 4-(5-formyl-2-pyridyl)benzoate,
AJ-47127,
TR-064103,
9Y-0702,
C14H11NO3,
ZINC03884526,
CID2764561,
|
| 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 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number