| CAS Number | 314742-59-1 |
| Catalog Number | AG00C64K(AGN-PC-0WB4I1) |
| Chemical Name | 7-Methyl-5-(1-methyl-2-oxopropoxy)-4-propyl-2H-chromen-2-one |
| IUPAC Name | 7-methyl-5-(3-oxobutan-2-yloxy)-4-propylchromen-2-one |
| InChI | InChI=1S/C17H20O4/c1-5-6-13-9-16(19)21-15-8-10(2)7-14(17(13)15)20-12(4)11(3)18/h7-9,12H,5-6H2,1-4H3 |
| InChI Key | GBKJMLHHGHBNKW-UHFFFAOYSA-N |
| MDL Number | MFCD02057401 |
| Molecular Formula | C17H20O4 |
| Molecular Weight | 288.3383 |
| SMILES | C1(CCC)=CC(=O)OC2=CC(C)=CC(OC(C)C(C)=O)=C12 |
| Synonyms | 314742-59-1,
7-METHYL-5-(1-METHYL-2-OXOPROPOXY)-4-PROPYL-2H-CHROMEN-2-ONE,
7-Methyl-5-((3-oxobutan-2-yl)oxy)-4-propyl-2H-chromen-2-one,
7-methyl-5-[(3-oxobutan-2-yl)oxy]-4-propyl-2H-chromen-2-one,
AC1NE2DJ,
7-methyl-5-(3-oxobutan-2-yloxy)-4-propylchromen-2-one,
CTK4G7206,
DTXSID90404553,
CHEMBRDG-BB 6160499,
ZX-CM016566,
MFCD02057401,
STL511411,
AKOS016379541,
MCULE-6858295766,
W-9026,
7-Methyl-5-[(3-oxobutan-2-yl)oxy]-4-propyl-2H-1-benzopyran-2-one,
CHEMBRDG-BB6160499,
ZINC00525840,
CID4585421,
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| Complexity | 440 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.343g/mol |
| Monoisotopic Mass | 288.136g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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