| CAS Number | 864960-96-3 |
| Catalog Number | AG00H1OC(AGN-PC-035SZ4) |
| Chemical Name | 3-(4-Fluoro-3-methoxyphenyl)propanoic acid |
| IUPAC Name | 3-(4-fluoro-3-methoxyphenyl)propanoic acid |
| InChI | InChI=1S/C10H11FO3/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13) |
| InChI Key | ANPCCWWNYXSFDQ-UHFFFAOYSA-N |
| MDL Number | MFCD11655589 |
| Molecular Formula | C10H11FO3 |
| Molecular Weight | 198.1909 |
| SMILES | FC1=C(C=C(C=C1)CCC(=O)O)OC |
| Synonyms | 864960-96-3,
3-(4-fluoro-3-methoxyphenyl)propanoic acid,
3-(4-Fluoro-3-methoxyphenyl)propionic acid,
MFCD11655589,
Benzenepropanoic acid, 4-fluoro-3-methoxy-,
3-(4-Fluoro-3-methoxy-phenyl)-propionic acid,
SCHEMBL4208634,
ANPCCWWNYXSFDQ-UHFFFAOYSA-N,
ZINC36294299,
AKOS015958361,
MCULE-4035483921,
3-(4-fluoro-3-methoxyphenyl)propanoic acid (IM OCS),
F9995-1022,
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| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.193g/mol |
| Monoisotopic Mass | 198.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number