| CAS Number | 34670-04-7 |
| Catalog Number | AG007CVU(AGN-PC-0RA295) |
| Chemical Name | 5-(4-Ethylphenyl)-5-oxovaleric acid |
| IUPAC Name | 5-(4-ethylphenyl)-5-oxopentanoic acid |
| InChI | InChI=1S/C13H16O3/c1-2-10-6-8-11(9-7-10)12(14)4-3-5-13(15)16/h6-9H,2-5H2,1H3,(H,15,16) |
| InChI Key | FWKMYWRTBXKGBU-UHFFFAOYSA-N |
| MDL Number | MFCD02260945 |
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.2643 |
| SMILES | C(CCCC(=O)C1C=CC(=CC=1)CC)(O)=O |
| Synonyms | 5-(4-Ethylphenyl)-5-oxovaleric acid,
34670-04-7,
5-(4-ethylphenyl)-5-oxopentanoic acid,
AC1MBZ5S,
SCHEMBL5849323,
CTK4H2815,
DTXSID10374542,
ZINC2579938,
7146c,
AKOS009242754,
ACM34670047,
5- -5-OXOVALERICACID,
CID2758889,
5-(4-ethylphenyl)-5-oxo-pentanoic Acid,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.268g/mol |
| Monoisotopic Mass | 220.11g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number