| CAS Number | 34670-10-5 |
| Catalog Number | AG01ACA6(AGN-PC-0RA2DY) |
| Chemical Name | 5-(4-Ethoxyphenyl)-5-oxopentanoic acid |
| IUPAC Name | 5-(4-ethoxyphenyl)-5-oxopentanoic acid |
| InChI | InChI=1S/C13H16O4/c1-2-17-11-8-6-10(7-9-11)12(14)4-3-5-13(15)16/h6-9H,2-5H2,1H3,(H,15,16) |
| InChI Key | DEARNFFFXXLTCU-UHFFFAOYSA-N |
| MDL Number | MFCD02260983 |
| Molecular Formula | C13H16O4 |
| Molecular Weight | 236.2637 |
| SMILES | CCOC1=CC=C(C(CCCC(O)=O)=O)C=C1 |
| Synonyms | 34670-10-5,
5-(4-ethoxyphenyl)-5-oxopentanoic acid,
5-(4-ETHOXYPHENYL)-5-OXOVALERIC ACID,
Benzenepentanoic acid,4-ethoxy-d-oxo-,
CTK4H2819,
DTXSID20645437,
ZINC2579973,
MFCD02260983,
AKOS005875683,
MCULE-5780612978,
NE50455,
Z1695797808,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.267g/mol |
| Monoisotopic Mass | 236.105g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
\N
|
|
Hazard statements
|
H317-H319
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P280-P305+P351+P338
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number