| CAS Number | 94283-73-5 |
| Catalog Number | AG01DWW8(AGN-PC-00PAB2) |
| Chemical Name | 3-Hydroxy-4-(propan-2-yloxy)benzaldehyde |
| IUPAC Name | 3-hydroxy-4-propan-2-yloxybenzaldehyde |
| InChI | InChI=1S/C10H12O3/c1-7(2)13-10-4-3-8(6-11)5-9(10)12/h3-7,12H,1-2H3 |
| InChI Key | XDTDOWPDIKPVLY-UHFFFAOYSA-N |
| MDL Number | MFCD16997346 |
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.2005 |
| SMILES | CC(OC1=C(O)C=C(C=O)C=C1)C |
| Synonyms | 3-HYDROXY-4-ISOPROPOXYBENZALDEHYDE,
94283-73-5,
3-HYDROXY-4-(PROPAN-2-YLOXY)BENZALDEHYDE,
SCHEMBL3575433,
XDTDOWPDIKPVLY-UHFFFAOYSA-N,
3-hydroxy-4-isopropoxy-benzaldehyde,
3-Hydroxy-4-isopropoxy benzaldehyde,
MB23004,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.203g/mol |
| Monoisotopic Mass | 180.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number