| CAS Number | 314744-71-3 |
| Catalog Number | AG00C5YK(AGN-PC-0WB4H2) |
| Chemical Name | 3-((3-Oxobutan-2-yl)oxy)-6H-benzo[c]chromen-6-one |
| IUPAC Name | 3-(3-oxobutan-2-yloxy)benzo[c]chromen-6-one |
| InChI | InChI=1S/C17H14O4/c1-10(18)11(2)20-12-7-8-14-13-5-3-4-6-15(13)17(19)21-16(14)9-12/h3-9,11H,1-2H3 |
| InChI Key | NTCZZFLTUKWCHE-UHFFFAOYSA-N |
| MDL Number | MFCD08236735 |
| Molecular Formula | C17H14O4 |
| Molecular Weight | 282.2907 |
| SMILES | C1(=O)C2C=CC=CC=2C2C(=CC(=CC=2)OC(C)C(C)=O)O1 |
| Synonyms | 314744-71-3,
3-(1-methyl-2-oxopropoxy)-6H-benzo[c]chromen-6-one,
CHEMBRDG-BB 6148972,
3-((3-Oxobutan-2-yl)oxy)-6H-benzo[c]chromen-6-one,
3-[(3-oxobutan-2-yl)oxy]-6H-benzo[c]chromen-6-one,
AC1N883I,
CHEMBL4080902,
ZX-CM016548,
MFCD01876702,
STK829393,
AKOS005613730,
MCULE-8633596039,
ACM314744713,
3-(3-oxobutan-2-yloxy)benzo[c]chromen-6-one,
W-8759,
CHEMBRDG-BB6148972,
ZINC00500418,
CID4339680,
|
| Complexity | 419 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.295g/mol |
| Monoisotopic Mass | 282.089g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number