| CAS Number | 795290-89-0 |
| Catalog Number | AG00GIW9(AGN-PC-0WP1M4) |
| Chemical Name | 3-Methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde |
| IUPAC Name | 3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde |
| InChI | InChI=1S/C13H13NO3S/c1-9-14-11(8-18-9)7-17-12-4-3-10(6-15)5-13(12)16-2/h3-6,8H,7H2,1-2H3 |
| InChI Key | KQJKXBCWWWOERE-UHFFFAOYSA-N |
| MDL Number | MFCD06368751 |
| Molecular Formula | C13H13NO3S |
| Molecular Weight | 263.3122 |
| SMILES | COC1=C(OCC2N=C(C)SC=2)C=CC(C=O)=C1 |
| Synonyms | 3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde,
795290-89-0,
3-Methoxy-4-((2-methylthiazol-4-yl)methoxy)benzaldehyde,
AC1M7Q0G,
AC1Q478N,
CTK6J6007,
DTXSID80368695,
ZINC3330541,
MFCD06368751,
AKOS005207824,
MCULE-3229996886,
NE58589,
EN300-11517,
SR-01000061000,
SR-01000061000-1,
F2158-0213,
KQJKXBCWWWOERE-UHFFFAOYSA-N,
ZINC03330541,
CID2446566,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.311g/mol |
| Monoisotopic Mass | 263.062g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number