| CAS Number | 7721-61-1 |
| Catalog Number | AG005D5I(AGN-PC-0NJQM5) |
| Chemical Name | 6-Methylisovanillin |
| IUPAC Name | 5-hydroxy-4-methoxy-2-methylbenzaldehyde |
| InChI | InChI=1S/C9H10O3/c1-6-3-9(12-2)8(11)4-7(6)5-10/h3-5,11H,1-2H3 |
| InChI Key | WDPJCNNIVOVKPZ-UHFFFAOYSA-N |
| MDL Number | MFCD01605783 |
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.1739 |
| SMILES | COC1=C(O)C=C(C=O)C(C)=C1 |
| Synonyms | 5-hydroxy-4-methoxy-2-methylbenzaldehyde,
7721-61-1,
Benzaldehyde, 5-hydroxy-4-methoxy-2-methyl-,
6-METHYLISOVANILLIN,
SCHEMBL5355474,
CTK2G6717,
DTXSID80505508,
AKOS000278136,
2-methyl-4-methoxy-5-hydroxybenzaldehyde,
5-hydroxy-4-methoxy-2-methyl-benzaldehyde,
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| 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 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number