| CAS Number | 568553-00-4 |
| Catalog Number | AG00ECIK |
| Chemical Name | 4-(3,4-Dipropoxyphenyl)-4-oxobutanoic acid |
| IUPAC Name | 4-(3,4-dipropoxyphenyl)-4-oxobutanoic acid |
| InChI | InChI=1S/C16H22O5/c1-3-9-20-14-7-5-12(11-15(14)21-10-4-2)13(17)6-8-16(18)19/h5,7,11H,3-4,6,8-10H2,1-2H3,(H,18,19) |
| InChI Key | FHJQZEBRVXTLLJ-UHFFFAOYSA-N |
| MDL Number | MFCD03970015 |
| Molecular Formula | C16H22O5 |
| Molecular Weight | 294.3429 |
| SMILES | O=C(O)CCC(C1=CC=C(OCCC)C(OCCC)=C1)=O |
| Synonyms | 4-(3,4-dipropoxyphenyl)-4-oxobutanoic acid,
4-(3,4-Dipropoxy-phenyl)-4-oxo-butyric acid,
568553-00-4,
AC1Q2YFP,
AC1M6NY6,
CTK6E5807,
HMS1752M20,
ZINC3286650,
SBB039031,
STL191163,
AKOS000200381,
MCULE-5080221821,
NE32545,
EN300-05370,
J-513355,
Z56895726,
CID2402145,
4-(3,4-dipropoxyphenyl)-4-oxo-butanoic Acid,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.347g/mol |
| Monoisotopic Mass | 294.147g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 72.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number