| CAS Number | 1019392-34-7 |
| Catalog Number | AG019X3P |
| Chemical Name | 4-(4-[(3-Methylbut-2-en-1-yl)oxy]phenyl)butan-2-one |
| IUPAC Name | 4-[4-(3-methylbut-2-enoxy)phenyl]butan-2-one |
| InChI | InChI=1S/C15H20O2/c1-12(2)10-11-17-15-8-6-14(7-9-15)5-4-13(3)16/h6-10H,4-5,11H2,1-3H3 |
| InChI Key | ZKFQEWPXZGUTON-UHFFFAOYSA-N |
| MDL Number | MFCD11127727 |
| Molecular Formula | C15H20O2 |
| Molecular Weight | 232.3181 |
| SMILES | C/C(/C)=C/COC1=CC=C(CCC(C)=O)C=C1 |
| Synonyms | 4-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}butan-2-one,
1019392-34-7,
AC1Q1K5I,
SCHEMBL10805062,
CTK6A0185,
ZINC19806751,
AKOS000202846,
MCULE-7556963681,
NE26016,
EN300-53970,
Z54660268,
4-(4-[(3-methylbut-2-en-1-yl)oxy]phenyl)butan-2-one, AldrichCPR,
4-(4-[(3-methylbut-2-en-1-yl)oxy]phenyl)butan-2-one,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.323g/mol |
| Monoisotopic Mass | 232.146g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number