| CAS Number | 893737-77-4 |
| Catalog Number | AG00397H(AGN-PC-0WAM1S) |
| Chemical Name | 2-Formyl-4-(4-methylthiophenyl)phenol |
| IUPAC Name | 2-hydroxy-5-(4-methylsulfanylphenyl)benzaldehyde |
| InChI | InChI=1S/C14H12O2S/c1-17-13-5-2-10(3-6-13)11-4-7-14(16)12(8-11)9-15/h2-9,16H,1H3 |
| InChI Key | YMPIUBAFFRNUBI-UHFFFAOYSA-N |
| MDL Number | MFCD00015962 |
| Molecular Formula | C14H12O2S |
| Molecular Weight | 244.3089 |
| SMILES | OC1=C(C=C(C=C1)C1=CC=C(C=C1)SC)C=O |
| Synonyms | 893737-77-4,
4-Hydroxy-4'-(methylthio)[1,1'-biphenyl]-3-carboxaldehyde,
2-FORMYL-4-(4-METHYLTHIOPHENYL)PHENOL,
KS-000001BX,
MFCD06802120,
AKOS004116152,
BB 0223167,
4-hydroxy-4'-(methylsulfanyl)-3-biphenylcarbaldehyde,
4-hydroxy-4'-(methylsulfanyl)[1,1'-biphenyl]-3- carbaldehyde,
4-Hydroxy-4'-(methylsulfanyl)[1,1'-biphenyl]-3-carbaldehyde,
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| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.308g/mol |
| Monoisotopic Mass | 244.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number