| CAS Number | 5651-89-8 |
| Catalog Number | AG01AB7P(AGN-PC-0NIQR7) |
| Chemical Name | 1-Methyl-3-(prop-2-yn-1-yloxy)benzene |
| IUPAC Name | 1-methyl-3-prop-2-ynoxybenzene |
| InChI | InChI=1S/C10H10O/c1-3-7-11-10-6-4-5-9(2)8-10/h1,4-6,8H,7H2,2H3 |
| InChI Key | CVTRRYVALLYFFO-UHFFFAOYSA-N |
| MDL Number | MFCD14631202 |
| Molecular Formula | C10H10O |
| Molecular Weight | 146.1858 |
| SMILES | C#CCOC1=CC(C)=CC=C1 |
| Synonyms | 1-methyl-3-(prop-2-yn-1-yloxy)benzene,
5651-89-8,
AC1Q2JA3,
SCHEMBL4815490,
CTK1F4479,
DTXSID80494004,
CVTRRYVALLYFFO-UHFFFAOYSA-N,
MFCD14631202,
ZINC41634656,
1-methyl-3-(prop-2-ynyloxy)benzene,
AKOS008950587,
MCULE-5758552601,
NE34559,
Benzene, 1-methyl-3-(2-propynyloxy)-,
1-Methyl-3-[(prop-2-yn-1-yl)oxy]benzene,
EN300-70708,
Z54472997,
3-Methyl-phenyl propargyl ether,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.189g/mol |
| Monoisotopic Mass | 146.073g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number