Methyl 2,5-Dihydroxycinnamate

Chemical Information
2,5-dihydroxycinnamic acid methyl ester is a cinnamate ester that is the methyl ester of 2,5-dihydroxycinnamic acid. It has a role as a geroprotector, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor, a plant metabolite and a human urinary metabolite. It is a member of hydroquinones, a methyl ester and a cinnamate ester.
| CAS Number | 123064-80-2 |
| PubChem CID | 5353609 |
| IUPAC Name | methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate |
| Molecular Formula | C10H10O4 |
| Molecular Weight | 194.18 |
| XLogP | 1.5 |
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 224 |
| Property | Value |
|---|---|
| Molecular Weight | 194.18 |
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 194.05790880 |
| Monoisotopic Mass | 194.05790880 |
| Topological Polar Surface Area | 66.8 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 224 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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