| CAS Number | 720-66-1 |
| Catalog Number | AG00FOFJ(AGN-PC-0TZSNJ) |
| Chemical Name | 1-(3,4-Diethoxyphenyl)propan-1-one |
| IUPAC Name | 1-(3,4-diethoxyphenyl)propan-1-one |
| InChI | InChI=1S/C13H18O3/c1-4-11(14)10-7-8-12(15-5-2)13(9-10)16-6-3/h7-9H,4-6H2,1-3H3 |
| InChI Key | NWTLGUHMGAXWQD-UHFFFAOYSA-N |
| MDL Number | MFCD00508364 |
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.2802 |
| SMILES | CCOC1=C(OCC)C=C(C(CC)=O)C=C1 |
| Synonyms | 1-(3,4-diethoxyphenyl)propan-1-one,
3-4-diethoxypropiophenone,
720-66-1,
AC1Q35XA,
SCHEMBL11686093,
CTK6G1082,
ZINC19394344,
AKOS000112395,
MCULE-5141435819,
NE11559,
EN300-55967,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.284g/mol |
| Monoisotopic Mass | 222.126g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number