| CAS Number | 1122568-12-0 |
| Catalog Number | AG00941A(AGN-PC-0WA52A) |
| Chemical Name | 2-(3-Methoxypropoxy)phenylboronic acid |
| IUPAC Name | [2-(3-methoxypropoxy)phenyl]boronic acid |
| InChI | InChI=1S/C10H15BO4/c1-14-7-4-8-15-10-6-3-2-5-9(10)11(12)13/h2-3,5-6,12-13H,4,7-8H2,1H3 |
| InChI Key | QTKSGDCKQYSRMK-UHFFFAOYSA-N |
| MDL Number | MFCD12768318 |
| Molecular Formula | C10H15BO4 |
| Molecular Weight | 210.0347 |
| SMILES | COCCCOc1ccccc1B(O)O |
| Synonyms | 2-(3-METHOXYPROPOXY)PHENYLBORONIC ACID,
1122568-12-0,
(2-(3-methoxypropoxy)phenyl)boronic acid,
[2-(3-methoxypropoxy)phenyl]boronic acid,
ACMC-2099dr,
SCHEMBL2546391,
CTK4A7727,
DTXSID90681428,
ANW-16429,
MFCD12768318,
AKOS010149108,
ZINC169929556,
AM86313,
TR-034077,
CS-0062026,
Z7374,
A-9167,
C10H15BO4,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.036g/mol |
| Monoisotopic Mass | 210.106g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P280-P301+P312-P302+P352-P305+P351+P338
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number