| CAS Number | 34670-05-8 |
| Catalog Number | AG00C8G1(AGN-PC-0WCIRR) |
| Chemical Name | 5-(4-n-Propylphenyl)-5-oxovaleric acid |
| IUPAC Name | 5-oxo-5-(4-propylphenyl)pentanoic acid |
| InChI | InChI=1S/C14H18O3/c1-2-4-11-7-9-12(10-8-11)13(15)5-3-6-14(16)17/h7-10H,2-6H2,1H3,(H,16,17) |
| InChI Key | URHNYGDNUORSCI-UHFFFAOYSA-N |
| MDL Number | MFCD02260949 |
| Molecular Formula | C14H18O3 |
| Molecular Weight | 234.2909 |
| SMILES | C1=C(CCC)C=CC(C(CCCC(=O)O)=O)=C1 |
| Synonyms | 5-(4-n-Propylphenyl)-5-oxovaleric acid,
34670-05-8,
5-oxo-5-(4-propylphenyl)pentanoic Acid,
AC1MC2RZ,
DTXSID60375180,
ZINC2579942,
7215c,
AKOS009164242,
ACM34670058,
BC4157797,
CID2760480,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.295g/mol |
| Monoisotopic Mass | 234.126g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number