| CAS Number | 20633-28-7 |
| Catalog Number | AG01BH10 |
| Chemical Name | 3,3-dimethyl-5-oxo-5-phenylpentanoic acid |
| IUPAC Name | 3,3-dimethyl-5-oxo-5-phenylpentanoic acid |
| InChI | InChI=1S/C13H16O3/c1-13(2,9-12(15)16)8-11(14)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,16) |
| InChI Key | DHWPIXISWZOLGV-UHFFFAOYSA-N |
| MDL Number | MFCD17253588 |
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.2643 |
| SMILES | CC(CC(C1=CC=CC=C1)=O)(CC(O)=O)C |
| Synonyms | 3,3-dimethyl-5-oxo-5-phenylpentanoic acid,
20633-28-7,
SCHEMBL7708918,
DHWPIXISWZOLGV-UHFFFAOYSA-N,
ZINC61824695,
AKOS012229177,
Z1992316431,
|
| Complexity | 262 |
| 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 | 5 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number