| CAS Number | 42044-93-9 |
| Catalog Number | AG01FC4L(AGN-PC-3H49L8) |
| Chemical Name | 5-Ethyl-2-hydroxy-3-methoxybenzaldehyde |
| IUPAC Name | 5-ethyl-2-hydroxy-3-methoxybenzaldehyde |
| InChI | InChI=1S/C10H12O3/c1-3-7-4-8(6-11)10(12)9(5-7)13-2/h4-6,12H,3H2,1-2H3 |
| InChI Key | YSHWKKGQACCKOW-UHFFFAOYSA-N |
| MDL Number | MFCD06740706 |
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.2005 |
| SMILES | CCc1cc(OC)c(c(c1)C=O)O |
| Synonyms | 5-ethyl-2-hydroxy-3-methoxybenzaldehyde,
42044-93-9,
5-Ethyl-2-hydroxy-3-methoxy-benzaldehyde,
AC1OGPAU,
SCHEMBL5644612,
CTK6D1060,
ZINC4290751,
AKOS006230348,
ZINC04290751,
CID7172048,
|
| Complexity | 170 |
| 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 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number