| CAS Number | 1296671-86-7 |
| Catalog Number | AG000TKP(AGN-PC-06GMJ7) |
| Chemical Name | 3-Pentyloxyphenylboronic acid |
| IUPAC Name | (3-pentoxyphenyl)boronic acid |
| InChI | InChI=1S/C11H17BO3/c1-2-3-4-8-15-11-7-5-6-10(9-11)12(13)14/h5-7,9,13-14H,2-4,8H2,1H3 |
| InChI Key | UMEOKJGUOUIZBL-UHFFFAOYSA-N |
| MDL Number | MFCD11183197 |
| Molecular Formula | C11H17BO3 |
| Molecular Weight | 208.0619 |
| SMILES | CCCCCOc1cccc(c1)B(O)O |
| Synonyms | 1296671-86-7,
3-Pentyloxyphenylboronic acid,
(3-(Pentyloxy)phenyl)boronic acid,
[3-(Pentyloxy)phenyl]boronic acid,
ACMC-209bh4,
CTK8B0033,
DTXSID10655560,
ANW-19142,
MFCD11183197,
AKOS009317519,
ZINC169922521,
Boronic acid, B-[3-(pentyloxy)phenyl]-,
OR361519,
AX8240001,
TC-107887,
Z9481,
A-3056,
I04-2263,
C11H17BO3,
(3-(Pentyloxy)phenyl)boronicacid,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.064g/mol |
| Monoisotopic Mass | 208.127g/mol |
| Rotatable Bond Count | 6 |
| 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