| CAS Number | 1188265-06-6 |
| Catalog Number | AG007PK5(AGN-PC-0WCCRV) |
| Chemical Name | Ethyl 7-(4-methoxyphenyl)-4,7-dioxoheptanoate |
| IUPAC Name | ethyl 7-(4-methoxyphenyl)-4,7-dioxoheptanoate |
| InChI | InChI=1S/C16H20O5/c1-3-21-16(19)11-7-13(17)6-10-15(18)12-4-8-14(20-2)9-5-12/h4-5,8-9H,3,6-7,10-11H2,1-2H3 |
| InChI Key | YJDWJNGBUQHLAP-UHFFFAOYSA-N |
| MDL Number | MFCD13152310 |
| Molecular Formula | C16H20O5 |
| Molecular Weight | 292.3270 |
| SMILES | CCOC(=O)CCC(=O)CCC(=O)c1ccc(OC)cc1 |
| Synonyms | Ethyl 7-(4-methoxyphenyl)-4,7-dioxoheptanoate,
1188265-06-6,
Ethyl 7-(4-methoxyphenyl)-4,7-dioxo-heptanoate,
SCHEMBL1821483,
CTK8B8856,
DTXSID20729069,
YJDWJNGBUQHLAP-UHFFFAOYSA-N,
3171AA,
ANW-61513,
MFCD13152310,
ZINC40443165,
AKOS015995472,
AJ-102477,
AX8163597,
TC-150258,
CS-0061622,
C16H20O5,
Ethyl7-(4-methoxyphenyl)-4,7-dioxoheptanoate,
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| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.331g/mol |
| Monoisotopic Mass | 292.131g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 69.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number