| CAS Number | 884497-68-1 |
| Catalog Number | AG004GU0(AGN-PC-0WB4QA) |
| Chemical Name | 6-Chloro-3,4-dimethyl-7-((3-oxobutan-2-yl)oxy)-2H-chromen-2-one |
| IUPAC Name | 6-chloro-3,4-dimethyl-7-(3-oxobutan-2-yloxy)chromen-2-one |
| InChI | InChI=1S/C15H15ClO4/c1-7-8(2)15(18)20-13-6-14(12(16)5-11(7)13)19-10(4)9(3)17/h5-6,10H,1-4H3 |
| InChI Key | INZGFZXDDUKYND-UHFFFAOYSA-N |
| MDL Number | MFCD05863719 |
| Molecular Formula | C15H15ClO4 |
| Molecular Weight | 294.7302 |
| SMILES | C1(C)=C(C)C(=O)OC2=CC(OC(C)C(C)=O)=C(Cl)C=C12 |
| Synonyms | 884497-68-1,
6-CHLORO-3,4-DIMETHYL-7-(1-METHYL-2-OXOPROPOXY)-2H-CHROMEN-2-ONE,
AC1NEVJB,
6-chloro-3,4-dimethyl-7-(3-oxobutan-2-yloxy)chromen-2-one,
CTK5F9884,
DTXSID00404721,
CHEMBRDG-BB 7107691,
ZX-CM017212,
MFCD05863719,
AKOS016374274,
MCULE-3890009491,
Y-1901,
6-Chloro-3,4-dimethyl-7-((3-oxobutan-2-yl)oxy)-2H-chromen-2-one,
6-Chloro-3,4-dimethyl-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one,
CHEMBRDG-BB7107691,
CID4598699,
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| Complexity | 457 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.731g/mol |
| Monoisotopic Mass | 294.066g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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