| CAS Number | 1028748-11-9 |
| Catalog Number | AG008VBC(AGN-PC-0WB5HV) |
| Chemical Name | (2-Methyl-2,3-dihydrobenzofuran-5-yl)boronic acid |
| IUPAC Name | (2-methyl-2,3-dihydro-1-benzofuran-5-yl)boronic acid |
| InChI | InChI=1S/C9H11BO3/c1-6-4-7-5-8(10(11)12)2-3-9(7)13-6/h2-3,5-6,11-12H,4H2,1H3 |
| InChI Key | BUNVVERIGKVWLT-UHFFFAOYSA-N |
| MDL Number | MFCD11634366 |
| Molecular Formula | C9H11BO3 |
| Molecular Weight | 177.9928 |
| SMILES | CC1OC2=C(C=C(B(O)O)C=C2)C1 |
| Synonyms | 1028748-11-9,
(2-METHYL-2,3-DIHYDRO-1-BENZOFURAN-5-YL)BORONIC ACID,
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)boranediol,
(2-Methyl-2,3-dihydrobenzofuran-5-yl)boronic acid,
SCHEMBL1371720,
DTXSID40655816,
BUNVVERIGKVWLT-UHFFFAOYSA-N,
MFCD11634366,
AKOS009436210,
EN300-79672,
Y-6838,
2-methyl-2,3-dihydro-1-benzofuran-5-ylboronic acid,
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)boronic acid(SALTDATA,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.994g/mol |
| Monoisotopic Mass | 178.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number