| CAS Number | 1256358-62-9 |
| Catalog Number | AG000O5K(AGN-PC-0WA9TO) |
| Chemical Name | 4-[(Cyclopropylmethoxy)methyl]phenylboronic acid |
| IUPAC Name | [4-(cyclopropylmethoxymethyl)phenyl]boronic acid |
| InChI | InChI=1S/C11H15BO3/c13-12(14)11-5-3-10(4-6-11)8-15-7-9-1-2-9/h3-6,9,13-14H,1-2,7-8H2 |
| InChI Key | GXKALLDBPFOOKG-UHFFFAOYSA-N |
| MDL Number | MFCD14687298 |
| Molecular Formula | C11H15BO3 |
| Molecular Weight | 206.0460 |
| SMILES | OB(c1ccc(cc1)COCC1CC1)O |
| Synonyms | 1256358-62-9,
4-[(CYCLOPROPYLMETHOXY)METHYL]PHENYLBORONIC ACID,
(4-((Cyclopropylmethoxy)methyl)phenyl)boronic acid,
4-(Cyclopropylmethoxy)methylphenylboronic acid,
{4-[(Cyclopropylmethoxy)methyl]phenyl}boronic acid,
ACMC-209azn,
CTK4B4672,
DTXSID80681351,
ANW-18513,
MFCD14687298,
AKOS010795443,
ZINC169926353,
OR361085,
TR-035335,
X1984,
B-6765,
Boronic acid, B-[4-[(cyclopropylmethoxy)methyl]phenyl]-,
C11H15BO3,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.048g/mol |
| Monoisotopic Mass | 206.111g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number