| CAS Number | 1313761-97-5 |
| Catalog Number | AG000W1L(AGN-PC-0WA9OC) |
| Chemical Name | 4-(Tetrahydro-2H-pyran-2-yl)methoxyphenylboronic acid |
| IUPAC Name | [4-(oxan-2-ylmethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C12H17BO4/c14-13(15)10-4-6-11(7-5-10)17-9-12-3-1-2-8-16-12/h4-7,12,14-15H,1-3,8-9H2 |
| InChI Key | ANXSFTGOFNZCEF-UHFFFAOYSA-N |
| MDL Number | MFCD12080515 |
| Molecular Formula | C12H17BO4 |
| Molecular Weight | 236.0720 |
| SMILES | OB(O)C1=CC=C(OCC2CCCCO2)C=C1 |
| Synonyms | 1313761-97-5,
4-(TETRAHYDRO-2H-PYRAN-2-YL)METHOXYPHENYLBORONIC ACID,
(4-((Tetrahydro-2H-pyran-2-yl)methoxy)phenyl)boronic acid,
[4-(oxan-2-ylmethoxy)phenyl]boronic acid,
(4-((Tetrahydro-2H-pyran-2-yl)-methoxy)phenyl)boronic acid,
ACMC-209blk,
CTK8B0089,
DTXSID70656215,
ANW-19302,
MFCD12080515,
AKOS009609997,
TC-108047,
{4-[(Oxan-2-yl)methoxy]phenyl}boronic acid,
A-9163,
I04-2946,
[4-(Tetrahydro-2H-pyran-2-ylmethoxy)phenyl]boronic acid,
Boronic acid, B-[4-[(tetrahydro-2H-pyran-2-yl)methoxy]phenyl]-,
(4-((Tetrahydro-2H-pyran-2-yl)methoxy)phenyl)boronicacid,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.074g/mol |
| Monoisotopic Mass | 236.122g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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