| CAS Number | 554453-78-0 |
| Catalog Number | AG01B9LU |
| Chemical Name | 2-(4-hydroxyphenyl)propanedial |
| IUPAC Name | 2-(4-hydroxyphenyl)propanedial |
| InChI | InChI=1S/C9H8O3/c10-5-8(6-11)7-1-3-9(12)4-2-7/h1-6,8,12H |
| InChI Key | VZVCCERNIMQBCI-UHFFFAOYSA-N |
| MDL Number | MFCD28054217 |
| Molecular Formula | C9H8O3 |
| Molecular Weight | 164.1580 |
| SMILES | OC1=CC=C(C(C=O)C=O)C=C1 |
| Synonyms | 2-(4-hydroxyphenyl)propanedial,
554453-78-0,
SCHEMBL14010204,
ZINC139266661,
J3.659.184F,
|
| Complexity | 151 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.16g/mol |
| Monoisotopic Mass | 164.047g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number