| CAS Number | 628732-18-3 |
| Catalog Number | AG01AL7X(AGN-PC-03IONS) |
| Chemical Name | (2E)-3-(3-fluoro-5-methoxyphenyl)prop-2-enoic acid |
| IUPAC Name | (E)-3-(3-fluoro-5-methoxyphenyl)prop-2-enoic acid |
| InChI | InChI=1S/C10H9FO3/c1-14-9-5-7(2-3-10(12)13)4-8(11)6-9/h2-6H,1H3,(H,12,13)/b3-2+ |
| InChI Key | IMYBFKQCTCBNPY-NSCUHMNNSA-N |
| MDL Number | MFCD13185601 |
| Molecular Formula | C10H9FO3 |
| Molecular Weight | 196.1751 |
| SMILES | COC1=CC(/C=C/C(O)=O)=CC(F)=C1 |
| Synonyms | 3-(3-FLUORO-5-METHOXYPHENYL)PROP-2-ENOIC ACID,
628732-18-3,
SCHEMBL1340085,
3-fluoro-5-methoxycinnamic acid,
MFCD13185601,
ZINC115903963,
CS-0047436,
(E)-3-(3-Fluoro-5-methoxyphenyl)acrylic acid,
EN300-219690,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 196.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.177g/mol |
| Monoisotopic Mass | 196.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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