| CAS Number | 50703-56-5 |
| Catalog Number | AG01A5SJ(AGN-PC-0S8T5R) |
| Chemical Name | 3-(3-Fluoro-4-methoxyphenyl)-2-methylpropanoic acid |
| IUPAC Name | 3-(3-fluoro-4-methoxyphenyl)-2-methylpropanoic acid |
| InChI | InChI=1S/C11H13FO3/c1-7(11(13)14)5-8-3-4-10(15-2)9(12)6-8/h3-4,6-7H,5H2,1-2H3,(H,13,14) |
| InChI Key | AAABJKSOVYDFKA-UHFFFAOYSA-N |
| MDL Number | MFCD12794483 |
| Molecular Formula | C11H13FO3 |
| Molecular Weight | 212.2175 |
| SMILES | COC1=C(F)C=C(CC(C(O)=O)C)C=C1 |
| Synonyms | 3-(3-fluoro-4-methoxyphenyl)-2-methylpropanoic acid,
50703-56-5,
SCHEMBL6938099,
AAABJKSOVYDFKA-UHFFFAOYSA-N,
AKOS010363160,
MCULE-9585703204,
NE34381,
3-fluoro-4-methoxy-a-methyl dihydrocinnamic acid,
3-fluoro-4-methoxy-alpha-methyl dihydrocinnamic acid,
3-fluoro-alpha-methyl-4-methoxy dihydrocinnamic acid,
A1-08679,
Z1665033448,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.22g/mol |
| Monoisotopic Mass | 212.085g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number