| CAS Number | 1338934-20-5 |
| Catalog Number | AG01EOOX(AGN-PC-0WNR3L) |
| Chemical Name | MKC 9989 |
| IUPAC Name | 7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4-methyl-2-oxochromene-8-carbaldehyde |
| InChI | InChI=1S/C17H20O7/c1-10-11(4-5-23-7-6-21-2)17(20)24-16-12(10)8-14(22-3)15(19)13(16)9-18/h8-9,19H,4-7H2,1-3H3 |
| InChI Key | QSVDQIXSUDHAOF-UHFFFAOYSA-N |
| MDL Number | MFCD28386191 |
| Molecular Formula | C17H20O7 |
| Molecular Weight | 336.3365 |
| SMILES | O=CC1=C(O)C(OC)=CC2=C1OC(=O)C(=C2C)CCOCCOC |
| Synonyms | MKC9989,
MKC9989,
1338934-20-5,
CHEMBL3668100,
SCHEMBL14916317,
BDBM160417,
CS-7770,
HY-12399,
US9040714, 127,
7-hydroxy-6-methoxy-3-(2-(2-methoxyethoxy)ethyl)-4-methyl-2-oxo-2h-chromene-8-carbaldehyde,
C000604516,
|
| Complexity | 487 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.34g/mol |
| Monoisotopic Mass | 336.121g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 91.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number