| CAS Number | 1095639-99-8 |
| Catalog Number | AG008S13(AGN-PC-0WD3X7) |
| Chemical Name | 4-(2-O-THP-HYDROXY-ETHYL)-PHENYL-BORONIC ACID |
| IUPAC Name | [4-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H19BO4/c15-14(16)12-6-4-11(5-7-12)8-10-18-13-3-1-2-9-17-13/h4-7,13,15-16H,1-3,8-10H2 |
| InChI Key | HICMGZMCEXKDKB-UHFFFAOYSA-N |
| MDL Number | MFCD07369983 |
| Molecular Formula | C13H19BO4 |
| Molecular Weight | 250.0986 |
| SMILES | OB(O)C1=CC=C(CCOC2CCCCO2)C=C1 |
| Synonyms | 1095639-99-8,
4-(2-O-Thp-hydroxy-ethyl)-phenyl-boronic acid,
(4-(2-((Tetrahydro-2H-pyran-2-yl)oxy)ethyl)phenyl)boronic acid,
4-(2-(TETRAHYDRO-2H-PYRAN-2-YLOXY)ETHYL)PHENYLBORONIC ACID,
4-[2-(tetrahydro-2h-pyran-2-yloxy)ethyl]phenylboronic acid,
SCHEMBL1092270,
DTXSID20661394,
HICMGZMCEXKDKB-UHFFFAOYSA-N,
MFCD07369983,
AB32475,
AS-38462,
DA-15617,
AX8282452,
FT-0733143,
A-1903,
(4-{2-[(Oxan-2-yl)oxy]ethyl}phenyl)boronic acid,
4-[2-(TETRAHYDRO-2H-PYRAN-2-YLOXY)ETHYL]PHENYLBORONIC ACID, 97%,
4-(2-O-Thp-hydroxy-ethyl)-phenyl-bronic acid,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.101g/mol |
| Monoisotopic Mass | 250.138g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number