| CAS Number | 21550-01-6 |
| Catalog Number | AG007Q20(AGN-PC-0061IU) |
| Chemical Name | 1-(4-Methoxyphenyl)-4-methylpentan-1-one |
| IUPAC Name | 1-(4-methoxyphenyl)-4-methylpentan-1-one |
| InChI | InChI=1S/C13H18O2/c1-10(2)4-9-13(14)11-5-7-12(15-3)8-6-11/h5-8,10H,4,9H2,1-3H3 |
| InChI Key | PJJALKPADMQRBC-UHFFFAOYSA-N |
| MDL Number | MFCD11210675 |
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.2808 |
| SMILES | COC1=CC=C(C(CCC(C)C)=O)C=C1 |
| Synonyms | 1-(4-methoxyphenyl)-4-methylpentan-1-one,
21550-01-6,
1-Pentanone, 1-(4-methoxyphenyl)-4-methyl-,
AC1Q49P6,
CTK0I9312,
DTXSID20461230,
ZINC36941961,
AKOS008124614,
MCULE-7637901164,
NE21234,
1-(4-methoxyphenyl)-4-methyl-1-pentanone,
EN300-68562,
CID11287216,
1-(4-methoxyphenyl)-4-methyl-pentan-1-one,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.285g/mol |
| Monoisotopic Mass | 206.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number