| CAS Number | 863705-22-0 |
| Catalog Number | AG01EXWC(AGN-PC-0LXAAB) |
| Chemical Name | 2-Hydroxy-5-methoxy-3,6-dimethylbenzaldehyde |
| IUPAC Name | 2-hydroxy-5-methoxy-3,6-dimethylbenzaldehyde |
| InChI | InChI=1S/C10H12O3/c1-6-4-9(13-3)7(2)8(5-11)10(6)12/h4-5,12H,1-3H3 |
| InChI Key | SRBZEYWCQOICPZ-UHFFFAOYSA-N |
| MDL Number | MFCD06740703 |
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.2005 |
| SMILES | C1(C=O)=C(C)C(OC)=CC(C)=C1O |
| Synonyms | 2-hydroxy-5-methoxy-3,6-dimethylbenzaldehyde,
2-Hydroxy-5-methoxy-3,6-dimethyl-benzaldehyde,
863705-22-0,
AC1OGV9D,
CTK6J5402,
ZINC4299083,
AKOS006292100,
2-Hydroxy-3,6-dimethyl-5-methoxybenzaldehyde,
ZINC04299083,
CID7176174,
|
| Complexity | 181 |
| 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 | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number