| CAS Number | 68599-64-4 |
| Catalog Number | AG00FOAL(AGN-PC-0WONYS) |
| Chemical Name | Ethyl 3-(2-ethoxyphenyl)-3-oxopropanoate |
| IUPAC Name | ethyl 3-(2-ethoxyphenyl)-3-oxopropanoate |
| InChI | InChI=1S/C13H16O4/c1-3-16-12-8-6-5-7-10(12)11(14)9-13(15)17-4-2/h5-8H,3-4,9H2,1-2H3 |
| InChI Key | QVZNRSWQQXYTTP-UHFFFAOYSA-N |
| MDL Number | MFCD11193514 |
| Molecular Formula | C13H16O4 |
| Molecular Weight | 236.2637 |
| SMILES | CCOC(CC(C1=C(OCC)C=CC=C1)=O)=O |
| Synonyms | ethyl 3-(2-ethoxyphenyl)-3-oxopropanoate,
68599-64-4,
AC1Q34N3,
SCHEMBL11339085,
CTK6F8228,
KS-00001KKU,
MFCD11193514,
ZINC20475425,
AKOS008118511,
MCULE-8385184047,
NE40076,
FT-0739162,
EN300-56530,
Z1245735298,
|
| Complexity | 262 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.267g/mol |
| Monoisotopic Mass | 236.105g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number