| CAS Number | 91142-24-4 |
| Catalog Number | AG006QNP(AGN-PC-0796HW) |
| Chemical Name | 1-Ethynyl-4-Isopropoxybenzene |
| IUPAC Name | 1-ethynyl-4-propan-2-yloxybenzene |
| InChI | InChI=1S/C11H12O/c1-4-10-5-7-11(8-6-10)12-9(2)3/h1,5-9H,2-3H3 |
| InChI Key | HJEHMBCPVHLCOG-UHFFFAOYSA-N |
| MDL Number | MFCD08703565 |
| Molecular Formula | C11H12O |
| Molecular Weight | 160.2124 |
| SMILES | CC(OC1=CC=C(C#C)C=C1)C |
| Synonyms | 91142-24-4,
1-ethynyl-4-isopropoxybenzene,
1-ETHYNYL-4-ISOPROPOXY-BENZENE,
1-ethynyl-4-(propan-2-yloxy)benzene,
4-Isopropoxyphenylacetylene,
SCHEMBL11998353,
CTK5G8988,
DTXSID60660720,
ZINC58626266,
AKOS010651485,
1-Ethynyl-4-(1-methylethoxy)-Benzene,
1-Ethynyl-4-[(propan-2-yl)oxy]benzene,
Benzene, 1-ethynyl-4-(1-methylethoxy)-,
A19303,
Z2234631184,
1-ethynyl-4-propan-2-yloxybenzene,
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.216g/mol |
| Monoisotopic Mass | 160.089g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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