| CAS Number | 150145-31-6 |
| Catalog Number | AG001MD9(AGN-PC-09PYXZ) |
| Chemical Name | Boronic acid, (4-methoxy-3-propoxyphenyl)- (9CI) |
| IUPAC Name | (4-methoxy-3-propoxyphenyl)boronic acid |
| InChI | InChI=1S/C10H15BO4/c1-3-6-15-10-7-8(11(12)13)4-5-9(10)14-2/h4-5,7,12-13H,3,6H2,1-2H3 |
| InChI Key | PGVBHBWAIOOUAA-UHFFFAOYSA-N |
| MDL Number | MFCD13195654 |
| Molecular Formula | C10H15BO4 |
| Molecular Weight | 210.0347 |
| SMILES | COC1=C(C=C(C=C1)B(O)O)OCCC |
| Synonyms | 150145-31-6,
(4-Methoxy-3-propoxyphenyl)boronic acid,
4-METHOXY-3-PROPOXYPHENYLBORONIC ACID,
ACMC-209d3w,
SCHEMBL7420999,
CTK4C6534,
DTXSID60681576,
ANW-21258,
MFCD13195654,
AKOS015851662,
ZINC169934021,
OR360546,
AX8236234,
TR-035767,
X0535,
B-2475,
Boronic acid, (4-methoxy-3-propoxyphenyl)- (9CI),
I04-2670,
C10H15BO4,
(4-Methoxy-3-propoxyphenyl)boronicacid,
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| Complexity | 177 |
| 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 | 5 |
| Topological Polar Surface Area | 58.9A^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