| CAS Number | 1354951-92-0 |
| Catalog Number | AG01AKNP(AGN-PC-0WOCGK) |
| Chemical Name | 7-(Methylsulfanyl)-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde |
| IUPAC Name | 6-methylsulfanyl-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde |
| InChI | InChI=1S/C10H10O3S/c1-14-10-5-9-8(4-7(10)6-11)12-2-3-13-9/h4-6H,2-3H2,1H3 |
| InChI Key | LOSQLDCQKAVBGB-UHFFFAOYSA-N |
| MDL Number | MFCD20233507 |
| Molecular Formula | C10H10O3S |
| Molecular Weight | 210.2496 |
| SMILES | CSC1=C(C=O)C=C2C(OCCO2)=C1 |
| Synonyms | 7-(methylsulfanyl)-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde,
1354951-92-0,
SCHEMBL20564419,
ZINC71372346,
AKOS026730100,
NE36183,
EN300-84703,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.247g/mol |
| Monoisotopic Mass | 210.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number