| CAS Number | 1189373-19-0 |
| Catalog Number | AG0097HP(AGN-PC-0WQWO9) |
| Chemical Name | [3-(Prop-1-yn-1-yl)phenyl]boronic acid |
| IUPAC Name | (3-prop-1-ynylphenyl)boronic acid |
| InChI | InChI=1S/C9H9BO2/c1-2-4-8-5-3-6-9(7-8)10(11)12/h3,5-7,11-12H,1H3 |
| InChI Key | IYTRBBPLPNGLBT-UHFFFAOYSA-N |
| MDL Number | MFCD17677373 |
| Molecular Formula | C9H9BO2 |
| Molecular Weight | 159.9776 |
| SMILES | CC#CC1=CC(B(O)O)=CC=C1 |
| Synonyms | [3-(prop-1-yn-1-yl)phenyl]boronic acid,
1189373-19-0,
3-(Prop-1-ynyl)phenylboronic acid,
SCHEMBL932696,
IYTRBBPLPNGLBT-UHFFFAOYSA-N,
ZINC169987250,
NE43135,
Boronicacid,B-[3-(1-propyn-1-yl)phenyl]-,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.979g/mol |
| Monoisotopic Mass | 160.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number