| CAS Number | 1357078-03-5 |
| Catalog Number | AG009FA4(AGN-PC-0WA1UN) |
| Chemical Name | B-(2-Oxo-2H-1-benzopyran-7-yl)boronic Acid |
| IUPAC Name | (2-oxochromen-7-yl)boronic acid |
| InChI | InChI=1S/C9H7BO4/c11-9-4-2-6-1-3-7(10(12)13)5-8(6)14-9/h1-5,12-13H |
| InChI Key | MUZVCJQIBNTECF-UHFFFAOYSA-N |
| MDL Number | MFCD25562900 |
| Molecular Formula | C9H7BO4 |
| Molecular Weight | 189.9605 |
| SMILES | O=C1OC2=CC(=CC=C2C=C1)B(O)O |
| Synonyms | 1357078-03-5,
(2-OXOCHROMEN-7-YL)BORONIC ACID,
(2-Oxo-2H-chromen-7-yl)boronic acid,
B-(2-Oxo-2H-1-benzopyran-7-yl)boronic Acid,
coumarin-7-boronic,
(2-Oxochromen-7-yl)boronicacid,
SCHEMBL15955599,
AKOS024438500,
ZINC169997016,
FCH2409796,
OR361693,
Boronic acid, B-(2-oxo-2H-1-benzopyran-7-yl)-,
J-006760,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.961g/mol |
| Monoisotopic Mass | 190.044g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number