| CAS Number | 7452-10-0 |
| Catalog Number | AG00FBN5(AGN-PC-0LX8UH) |
| Chemical Name | 2-Hydroxy-3-methoxy-5-methyl-benzaldehyde |
| IUPAC Name | 2-hydroxy-3-methoxy-5-methylbenzaldehyde |
| InChI | InChI=1S/C9H10O3/c1-6-3-7(5-10)9(11)8(4-6)12-2/h3-5,11H,1-2H3 |
| InChI Key | NDGVJTXAOLGFKK-UHFFFAOYSA-N |
| MDL Number | MFCD06740697 |
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.1739 |
| SMILES | OC1=C(C=O)C=C(C=C1OC)C |
| Synonyms | 2-hydroxy-3-methoxy-5-methylbenzaldehyde,
7452-10-0,
2-Hydroxy-3-methoxy-5-methyl-benzaldehyde,
AC1OGPB4,
SCHEMBL881403,
CHEMBL3660314,
CTK6J5462,
NDGVJTXAOLGFKK-UHFFFAOYSA-N,
BDBM110977,
ZINC4290756,
AKOS000112414,
2-Hydroxy-3-methoxy-5-methylbenzaldehyd,
DA-17052,
FT-0707109,
US8614253, .3-8,
2-hydroxy-3-methoxy-5-methyl-benzaldehyde, AldrichCPR,
ZINC04290756,
CID7172053,
|
| 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 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number