| CAS Number | 105899-68-1 |
| Catalog Number | AG01DX9I(AGN-PC-0OVCAH) |
| Chemical Name | 3-hydroxy-2-(3-hydroxyphenyl)prop-2-enal |
| IUPAC Name | 3-hydroxy-2-(3-hydroxyphenyl)prop-2-enal |
| InChI | InChI=1S/C9H8O3/c10-5-8(6-11)7-2-1-3-9(12)4-7/h1-6,10,12H |
| InChI Key | ZRETWWDRJUWTBT-UHFFFAOYSA-N |
| MDL Number | MFCD31665380 |
| Molecular Formula | C9H8O3 |
| Molecular Weight | 164.158 |
| SMILES | OC=C(C1=CC(O)=CC=C1)C=O |
| Synonyms | 3-hydroxy-2-(3-hydroxyphenyl)prop-2-enal,
105899-68-1,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.16g/mol |
| Monoisotopic Mass | 164.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number