| CAS Number | 3243-41-2 |
| Catalog Number | AG007G5D(AGN-PC-0MNKP7) |
| Chemical Name | 3-(4-butoxyphenyl)propanoic Acid |
| IUPAC Name | 3-(4-butoxyphenyl)propanoic acid |
| InChI | InChI=1S/C13H18O3/c1-2-3-10-16-12-7-4-11(5-8-12)6-9-13(14)15/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,14,15) |
| InChI Key | HYKVUYCXAYOAKZ-UHFFFAOYSA-N |
| MDL Number | MFCD06823982 |
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.2802 |
| SMILES | CCCCOC1=CC=C(CCC(O)=O)C=C1 |
| Synonyms | 3-(4-butoxyphenyl)propanoic Acid,
3243-41-2,
Benzenepropanoic acid,4-butoxy-,
AC1PMOCQ,
SCHEMBL1205783,
CTK4G8691,
DTXSID10429344,
HYKVUYCXAYOAKZ-UHFFFAOYSA-N,
ZINC8019483,
3-(4-n-Butoxyphenyl)propanoic acid,
MFCD06823982,
AKOS002674150,
K-7543,
CID9149823,
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| 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
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Certificate of Analysis
Lot Number