| CAS Number | 74516-54-4 |
| Catalog Number | AG01EX9K(AGN-PC-3H48A0) |
| Chemical Name | 2-Hydroxy-5-methoxy-4-methylbenzaldehyde |
| IUPAC Name | 2-hydroxy-5-methoxy-4-methylbenzaldehyde |
| InChI | InChI=1S/C9H10O3/c1-6-3-8(11)7(5-10)4-9(6)12-2/h3-5,11H,1-2H3 |
| InChI Key | JFQPXBDVPFBIFF-UHFFFAOYSA-N |
| MDL Number | MFCD06740700 |
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.1739 |
| SMILES | COC1=C(C)C=C(O)C(C=O)=C1 |
| Synonyms | 2-hydroxy-5-methoxy-4-methylbenzaldehyde,
2-Hydroxy-5-methoxy-4-methyl-benzaldehyde,
74516-54-4,
AC1OGPAY,
SCHEMBL3641916,
CTK6J5854,
JFQPXBDVPFBIFF-UHFFFAOYSA-N,
ZINC4290753,
AKOS006229139,
2-Hydroxy-4-methyl-5-methoxybenzaldehyde,
5-methoxy-4-methyl-2-oxidanyl-benzaldehyde,
Benzaldehyde, 2-hydroxy-5-methoxy-4-methyl-,
A822269,
ZINC04290753,
CID7172050,
34549-69-4,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.176g/mol |
| Monoisotopic Mass | 166.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number