| CAS Number | 1338934-59-0 |
| Catalog Number | AG01EOOW(AGN-PC-3H46GK) |
| Chemical Name | MKC8866 |
| IUPAC Name | 7-hydroxy-6-methoxy-4-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2-oxochromene-8-carbaldehyde |
| InChI | InChI=1S/C18H19NO7/c1-10-11-7-14(24-2)16(22)13(9-20)17(11)26-18(23)12(10)8-15(21)19-3-5-25-6-4-19/h7,9,22H,3-6,8H2,1-2H3 |
| InChI Key | IFDGMRMUJYGWQQ-UHFFFAOYSA-N |
| MDL Number | MFCD31540824 |
| Molecular Formula | C18H19NO7 |
| Molecular Weight | 361.3460 |
| SMILES | OC1=C(C2=C(C(=C(C(O2)=O)CC(=O)N2CCOCC2)C)C=C1OC)C=O |
| UNII | 1NZ0YBP9HB |
| Synonyms | MKC8866,
UNII-1NZ0YBP9HB,
1NZ0YBP9HB,
1338934-59-0,
CHEMBL3668126,
SCHEMBL14917189,
BDBM160445,
MKC-8866,
HY-104040,
CS-0026810,
US9040714, 167,
7-hydroxy-6-methoxy-4-methyl-3-(2-morpholino-2-oxoethyl)-2-oxo-2H-chromene-8-carbaldehyde,
2H-1-Benzopyran-8-carboxaldehyde, 7-hydroxy-6-methoxy-4-methyl-3-(2-(4-morpholinyl)-2-oxoethyl)-2-oxo-,
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| Complexity | 611 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 361.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 361.35g/mol |
| Monoisotopic Mass | 361.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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