| CAS Number | 153759-59-2 |
| Catalog Number | AG01F9M6(AGN-PC-3H49CO) |
| Chemical Name | 5-(tert-Butyl)-4-hydroxyisophthalaldehyde |
| IUPAC Name | 5-tert-butyl-4-hydroxybenzene-1,3-dicarbaldehyde |
| InChI | InChI=1S/C12H14O3/c1-12(2,3)10-5-8(6-13)4-9(7-14)11(10)15/h4-7,15H,1-3H3 |
| InChI Key | LGWDKUHSQODBHL-UHFFFAOYSA-N |
| MDL Number | MFCD02380391 |
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.2378 |
| SMILES | O=CC1=CC(C(C)(C)C)=C(O)C(C=O)=C1 |
| Synonyms | 5-tert-butyl-4-hydroxybenzene-1,3-dicarbaldehyde,
153759-59-2,
AC1MR7EJ,
SCHEMBL570881,
LGWDKUHSQODBHL-UHFFFAOYSA-N,
4-Hydroxy-5-tert-butylisophthalaldehyde,
5-tert-butyl-4-hydroxyisophthalaldehyde,
CID3513573,
4-hydroxy-5-tert-butyl-benzene-1,3-dicarbaldehyde,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.241g/mol |
| Monoisotopic Mass | 206.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number