| CAS Number | 34264-13-6 |
| Catalog Number | AG01BU0I |
| Chemical Name | 1-[3-(Prop-2-yn-1-yloxy)phenyl]ethan-1-one |
| IUPAC Name | 1-(3-prop-2-ynoxyphenyl)ethanone |
| InChI | InChI=1S/C11H10O2/c1-3-7-13-11-6-4-5-10(8-11)9(2)12/h1,4-6,8H,7H2,2H3 |
| InChI Key | LGOGUROFAUCLCK-UHFFFAOYSA-N |
| MDL Number | MFCD09930898 |
| Molecular Formula | C11H10O2 |
| Molecular Weight | 174.1959 |
| SMILES | CC(C1=CC(OCC#C)=CC=C1)=O |
| Synonyms | 34264-13-6,
1-[3-(prop-2-yn-1-yloxy)phenyl]ethan-1-one,
1-(3-(prop-2-ynyloxy)phenyl)ethanone,
SCHEMBL9154356,
ZINC19431008,
AKOS000171982,
Z54482915,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.199g/mol |
| Monoisotopic Mass | 174.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number