| CAS Number | 41580-71-6 |
| Catalog Number | AG01ABE4(AGN-PC-000RMR) |
| Chemical Name | 1-Methoxy-2-(prop-2-yn-1-yloxy)benzene |
| IUPAC Name | 1-methoxy-2-prop-2-ynoxybenzene |
| InChI | InChI=1S/C10H10O2/c1-3-8-12-10-7-5-4-6-9(10)11-2/h1,4-7H,8H2,2H3 |
| InChI Key | ULDZDSQQHOLKDH-UHFFFAOYSA-N |
| MDL Number | MFCD14631206 |
| Molecular Formula | C10H10O2 |
| Molecular Weight | 162.1852 |
| SMILES | COC1=C(OCC#C)C=CC=C1 |
| Synonyms | 1-methoxy-2-(prop-2-yn-1-yloxy)benzene,
41580-71-6,
Benzene, 1-methoxy-2-(2-propyn-1-yloxy)-,
SCHEMBL6811036,
Propargyl(2-methoxyphenyl) ether,
AC1Q4741,
MFCD14631206,
ZINC41634658,
AKOS008018920,
MCULE-3587144656,
NE35891,
CS-0047027,
EN300-71354,
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| 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 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number