| CAS Number | 237748-26-4 |
| Catalog Number | AG00BLU2 |
| Chemical Name | 3-(prop-2-yn-1-yloxy)benzonitrile |
| IUPAC Name | 3-prop-2-ynoxybenzonitrile |
| InChI | InChI=1S/C10H7NO/c1-2-6-12-10-5-3-4-9(7-10)8-11/h1,3-5,7H,6H2 |
| InChI Key | HROAIHLPIWAREZ-UHFFFAOYSA-N |
| MDL Number | MFCD09936976 |
| Molecular Formula | C10H7NO |
| Molecular Weight | 157.1687 |
| SMILES | C#CCOC1=CC(C#N)=CC=C1 |
| Synonyms | 3-(prop-2-yn-1-yloxy)benzonitrile,
237748-26-4,
Benzonitrile, 3-(2-propynyloxy)- (9CI),
3-Cyanophenylpropargyl ether,
AC1Q286Z,
SCHEMBL5981836,
CTK5J0891,
3-(2-Propyn-1-yloxy)benzonitrile,
ZINC19474373,
AKOS000181925,
MCULE-2911146977,
NE27730,
EN300-50015,
AB01002655-01,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.172g/mol |
| Monoisotopic Mass | 157.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number