| CAS Number | 861446-14-2 |
| Catalog Number | AG004OSN(AGN-PC-0OK5B1) |
| Chemical Name | Resveratrol 3,4’-Diacetate |
| IUPAC Name | acetic acid;[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenyl] acetate |
| InChI | InChI=1S/C16H14O4.C2H4O2/c1-11(17)20-16-6-4-12(5-7-16)2-3-13-8-14(18)10-15(19)9-13;1-2(3)4/h2-10,18-19H,1H3;1H3,(H,3,4) |
| InChI Key | PEZYIJKTHUIHSD-UHFFFAOYSA-N |
| Molecular Formula | C18H16O5 |
| Molecular Weight | 312.3166 |
| SMILES | CC(=O)Oc1ccc(C=Cc2cc(O)cc(OC(=O)C)c2)cc1 |
| Synonyms | 861446-14-2,
1,3-Benzenediol, 5-[(1E)-2-[4-(acetyloxy)phenyl]ethenyl]-, monoacetate,
CTK3C7661,
DTXSID60833492,
AKOS030254980,
Acetic acid--4-[2-(3,5-dihydroxyphenyl)ethenyl]phenyl acetate (1/1),
PEZYIJKTHUIHSD-UHFFFAOYSA-N,
|
| Complexity | 365 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.336g/mol |
| Monoisotopic Mass | 330.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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