| CAS Number | 105321-59-3 |
| Catalog Number | AG019J6O(AGN-PC-0KFUJJ) |
| Chemical Name | 1-(3,4-Dipropoxyphenyl)ethan-1-one |
| IUPAC Name | 1-(3,4-dipropoxyphenyl)ethanone |
| InChI | InChI=1S/C14H20O3/c1-4-8-16-13-7-6-12(11(3)15)10-14(13)17-9-5-2/h6-7,10H,4-5,8-9H2,1-3H3 |
| InChI Key | NBTJHXNUCAAKDN-UHFFFAOYSA-N |
| MDL Number | MFCD04623529 |
| Molecular Formula | C14H20O3 |
| Molecular Weight | 236.3068 |
| SMILES | CCCOC1=C(OCCC)C=C(C(C)=O)C=C1 |
| Synonyms | 1-(3,4-dipropoxyphenyl)ethan-1-one,
1-(3,4-dipropoxyphenyl)ethanone,
105321-59-3,
AC1Q2YFQ,
AC1M6H44,
SCHEMBL9662476,
CTK6E5804,
ZINC3282568,
1-(3,4-dipropoxyphenyl)-1-ethanone,
AKOS000200929,
MCULE-6979165918,
NE12946,
EN300-08701,
SR-01000047315,
SR-01000047315-1,
Z56946058,
ZINC03282568,
CID2398104,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.311g/mol |
| Monoisotopic Mass | 236.141g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number