| CAS Number | 61260-02-4 |
| Catalog Number | AG019WP7 |
| Chemical Name | 1-(4-phenoxyphenyl)butan-1-one |
| IUPAC Name | 1-(4-phenoxyphenyl)butan-1-one |
| InChI | InChI=1S/C16H16O2/c1-2-6-16(17)13-9-11-15(12-10-13)18-14-7-4-3-5-8-14/h3-5,7-12H,2,6H2,1H3 |
| InChI Key | XCJIHEHGZAKACB-UHFFFAOYSA-N |
| MDL Number | MFCD11544941 |
| Molecular Formula | C16H16O2 |
| Molecular Weight | 240.2970 |
| SMILES | CCCC(C1=CC=C(OC2=CC=CC=C2)C=C1)=O |
| Synonyms | 1-(4-phenoxyphenyl)butan-1-one,
61260-02-4,
AC1Q2UF3,
SCHEMBL6032575,
CTK6D3172,
1-(4-phenoxyphenyl)-1-butanone,
XCJIHEHGZAKACB-UHFFFAOYSA-N,
ZINC36192536,
AKOS009338610,
MCULE-8236578301,
NE25183,
NCGC00333209-01,
EN300-52707,
AB01328214-02,
Z763367898,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.302g/mol |
| Monoisotopic Mass | 240.115g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number