| CAS Number | 41580-72-7 |
| Catalog Number | AG01AB7Q(AGN-PC-0NK5SO) |
| Chemical Name | 1-Methoxy-3-(prop-2-yn-1-yloxy)benzene |
| IUPAC Name | 1-methoxy-3-prop-2-ynoxybenzene |
| InChI | InChI=1S/C10H10O2/c1-3-7-12-10-6-4-5-9(8-10)11-2/h1,4-6,8H,7H2,2H3 |
| InChI Key | BBWUXCBYJNMFCS-UHFFFAOYSA-N |
| MDL Number | MFCD14631228 |
| Molecular Formula | C10H10O2 |
| Molecular Weight | 162.1852 |
| SMILES | COC1=CC(OCC#C)=CC=C1 |
| Synonyms | 41580-72-7,
3-Methoxy-phenyl propargyl ether,
1-methoxy-3-(prop-2-yn-1-yloxy)benzene,
Benzene, 1-methoxy-3-(2-propyn-1-yloxy)-,
AC1Q49CN,
SCHEMBL791878,
ZINC39280510,
AKOS008018957,
MCULE-2286643233,
NE34643,
EN300-70709,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.188g/mol |
| Monoisotopic Mass | 162.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number