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Catalog Number | ACM66648439 |
CAS Number | 66648-43-9 |
Synonyms | N-Trans-feruloyltyramine |
Molecular Weight | 313.3 |
InChI | InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+ |
InChI Key | NPNNKDMSXVRADT-WEVVVXLNSA-N |
Melting Point | 138-140 °C |
Purity | 95%+ |
Complexity | 391 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 0 |
Exact Mass | 313.13140809 |
Heavy Atom Count | 23 |
Hydrogen Bond Acceptor Count | 4 |
Hydrogen Bond Donor Count | 3 |
Isomeric SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)O)O |
Monoisotopic Mass | 313.13140809 |
PhysicalState | Powder |
Rotatable Bond Count | 6 |
Topological Polar Surface Area | 78.8 Ų |
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