| CAS Number | 108123-49-5 |
| Catalog Number | AG01EIFS |
| Chemical Name | methyl 7-methyl-4-oxo-4H-chromene-2-carboxylate |
| IUPAC Name | methyl 7-methyl-4-oxochromene-2-carboxylate |
| InChI | InChI=1S/C12H10O4/c1-7-3-4-8-9(13)6-11(12(14)15-2)16-10(8)5-7/h3-6H,1-2H3 |
| InChI Key | QQMOYEILAODHDT-UHFFFAOYSA-N |
| MDL Number | MFCD18485349 |
| Molecular Formula | C12H10O4 |
| Molecular Weight | 218.2054 |
| SMILES | COC(C1OC2=C(C=CC(=C2)C)C(=O)C=1)=O |
| Synonyms | methyl 7-methyl-4-oxo-4H-chromene-2-carboxylate,
108123-49-5,
BBL019827,
MFCD18485349,
STL253539,
ZINC65363112,
AKOS005061881,
MCULE-3458209976,
H6078,
methyl 7-methyl-4-oxo-4capital EN, Cyrillic-chromene-2-carboxylate,
|
| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.208g/mol |
| Monoisotopic Mass | 218.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number