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Caffeic acid phenethyl ester · CAS 104594-70-9 · C17H16O4. UNII HMS3269P17.
| CAS Registry Number | 104594-70-9 |
|---|---|
| PubChem CID | 108042 |
| Molecular formula | C17H16O4 |
| IUPAC name | 2-phenylethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate |
| UNII (FDA) | HMS3269P17 |
| Molecular Weight | 284.31 |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 284.10485899 |
| Monoisotopic Mass | 284.10485899 |
| Topological Polar Surface Area | 66.8 |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
Caffeic acid-phenethyl ester; 2-phenylethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate; RefChem:1080633; 3,4-Dihydroxycinnamic Acid Phenethyl Ester; phenethyl 3,4-dihydroxycinnamate; Spectrum2_000819; Spectrum3_001986; SCHEMBL93649; KBioGR_000280; KBioSS_000280; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid 2-phenylethyl ester; SPBio_000717; Caffeic acid 2-phenylethyl ester; KBio2_000280; KBio2_002848; KBio2_005416
CAS 104594-70-9; molecular formula C17H16O4; molecular weight — g/mol.
Caffeic acid-phenethyl ester, 2-phenylethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate, RefChem:1080633, 3,4-Dihydroxycinnamic Acid Phenethyl Ester, phenethyl 3,4-dihydroxycinnamate, Spectrum2_000819.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.