| CAS Number | 1189126-30-4 |
| Catalog Number | AG007R97(AGN-PC-0AC0Z9) |
| Chemical Name | (4-Ethoxy-3-methoxyphenyl)boronic acid |
| IUPAC Name | (4-ethoxy-3-methoxyphenyl)boronic acid |
| InChI | InChI=1S/C9H13BO4/c1-3-14-8-5-4-7(10(11)12)6-9(8)13-2/h4-6,11-12H,3H2,1-2H3 |
| InChI Key | CXTNPDZQQOJCFP-UHFFFAOYSA-N |
| MDL Number | MFCD20441840 |
| Molecular Formula | C9H13BO4 |
| Molecular Weight | 196.0081 |
| SMILES | COC1=CC(B(O)O)=CC=C1OCC |
| Synonyms | (4-Ethoxy-3-methoxyphenyl)boronic acid,
1189126-30-4,
ACMC-209a0o,
CTK8A9388,
DTXSID90716587,
CXTNPDZQQOJCFP-UHFFFAOYSA-N,
ANW-17254,
MFCD20441840,
AKOS015893112,
ZINC169746500,
OR361198,
AX8230833,
TC-105999,
ST24020559,
Z8054,
B-6587,
I04-2121,
C9H13BO4,
(4-Ethoxy-3-methoxyphenyl)boronicacid,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.009g/mol |
| Monoisotopic Mass | 196.091g/mol |
| Rotatable Bond Count | 4 |
| 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