| CAS Number | 1250110-16-7 |
| Catalog Number | AG01ABEF |
| Chemical Name | 1-methanesulfonyl-3-(prop-2-yn-1-yloxy)benzene |
| IUPAC Name | 1-methylsulfonyl-3-prop-2-ynoxybenzene |
| InChI | InChI=1S/C10H10O3S/c1-3-7-13-9-5-4-6-10(8-9)14(2,11)12/h1,4-6,8H,7H2,2H3 |
| InChI Key | PYYKVKKNLNGFSO-UHFFFAOYSA-N |
| MDL Number | MFCD14631686 |
| Molecular Formula | C10H10O3S |
| Molecular Weight | 210.2496 |
| SMILES | CS(C1=CC(OCC#C)=CC=C1)(=O)=O |
| Synonyms | 1-methanesulfonyl-3-(prop-2-yn-1-yloxy)benzene,
1250110-16-7,
EN300-71390,
AC1Q4GHE,
ZINC41639638,
AKOS008132295,
FCH5466968,
MCULE-7957430945,
NE37956,
BBV-32713885,
Z428892396,
|
| Complexity | 317 |
| 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 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.247g/mol |
| Monoisotopic Mass | 210.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number