| CAS Number | 314742-28-4 |
| Catalog Number | AG007J5A(AGN-PC-0WB4H9) |
| Chemical Name | 4-Ethyl-7-((3-oxobutan-2-yl)oxy)-2H-chromen-2-one |
| IUPAC Name | 4-ethyl-7-(3-oxobutan-2-yloxy)chromen-2-one |
| InChI | InChI=1S/C15H16O4/c1-4-11-7-15(17)19-14-8-12(5-6-13(11)14)18-10(3)9(2)16/h5-8,10H,4H2,1-3H3 |
| InChI Key | QRPCBZXHJWLZKD-UHFFFAOYSA-N |
| MDL Number | MFCD02080209 |
| Molecular Formula | C15H16O4 |
| Molecular Weight | 260.2851 |
| SMILES | C12=CC(=CC=C1C(CC)=CC(=O)O2)OC(C)C(C)=O |
| Synonyms | 314742-28-4,
4-ETHYL-7-(1-METHYL-2-OXOPROPOXY)-2H-CHROMEN-2-ONE,
4-Ethyl-7-((3-oxobutan-2-yl)oxy)-2H-chromen-2-one,
AC1MYV10,
CTK4G7204,
DTXSID80397526,
CHEMBRDG-BB 6136642,
ZX-CM016528,
MFCD02080209,
AKOS001064074,
AKOS016374293,
MCULE-3162542553,
ACM314742284,
4-ethyl-7-(3-oxobutan-2-yloxy)chromen-2-one,
W-9055,
SR-01000039591,
SR-01000039591-1,
4-Ethyl-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one,
CHEMBRDG-BB6136642,
ZINC02389051,
CID3862704,
|
| Complexity | 399 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.289g/mol |
| Monoisotopic Mass | 260.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number