| CAS Number | 107228-87-5 |
| Catalog Number | AG01AA3E(AGN-PC-0NIVSP) |
| Chemical Name | 6-(4-Methoxyphenyl)hexanoic acid |
| IUPAC Name | 6-(4-methoxyphenyl)hexanoic acid |
| InChI | InChI=1S/C13H18O3/c1-16-12-9-7-11(8-10-12)5-3-2-4-6-13(14)15/h7-10H,2-6H2,1H3,(H,14,15) |
| InChI Key | GYLAUURZVLOHNI-UHFFFAOYSA-N |
| MDL Number | MFCD12172613 |
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.2802 |
| SMILES | COC1=CC=C(C=C1)CCCCCC(=O)O |
| Synonyms | 6-(4-methoxyphenyl)hexanoic acid,
107228-87-5,
AC1Q4CHS,
SCHEMBL9484086,
GYLAUURZVLOHNI-UHFFFAOYSA-N,
ZINC35324005,
AKOS009480460,
MCULE-2307018991,
NE17389,
EN300-66919,
Z1259162159,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.284g/mol |
| Monoisotopic Mass | 222.126g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number