| CAS Number | 75889-55-3 |
| Catalog Number | AG01AHOV(AGN-PC-00161K) |
| Chemical Name | 4-Methoxy-3-(methylthio)benzaldehyde |
| IUPAC Name | 4-methoxy-3-methylsulfanylbenzaldehyde |
| InChI | InChI=1S/C9H10O2S/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3 |
| InChI Key | JGKMHMMBGAAACW-UHFFFAOYSA-N |
| MDL Number | MFCD18785552 |
| Molecular Formula | C9H10O2S |
| Molecular Weight | 182.2395 |
| SMILES | c1(c(ccc(c1)C=O)OC)SC |
| Synonyms | 4-methoxy-3-(methylsulfanyl)benzaldehyde,
75889-55-3,
4-Methoxy-3-methylsulfanyl-benzaldehyde,
SCHEMBL1965979,
JGKMHMMBGAAACW-UHFFFAOYSA-N,
ZINC34278430,
4-Methoxy-3-(methylthio)benzaldehyde,
NE47749,
Benzaldehyde, 4-methoxy-3-(methylthio)-,
EN300-75357,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.237g/mol |
| Monoisotopic Mass | 182.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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