| CAS Number | 815619-87-5 |
| Catalog Number | AG005JTW(AGN-PC-0J0XNC) |
| Chemical Name | 4-Butoxy-3-formylphenylboronic acid |
| IUPAC Name | (4-butoxy-3-formylphenyl)boronic acid |
| InChI | InChI=1S/C11H15BO4/c1-2-3-6-16-11-5-4-10(12(14)15)7-9(11)8-13/h4-5,7-8,14-15H,2-3,6H2,1H3 |
| InChI Key | CXMOGUFQKZWEGE-UHFFFAOYSA-N |
| MDL Number | MFCD21609539 |
| Molecular Formula | C11H15BO4 |
| Molecular Weight | 222.0454 |
| SMILES | CCCCOc1ccc(cc1C=O)B(O)O |
| Synonyms | 815619-87-5,
(4-Butoxy-3-formylphenyl)boronic acid,
4-Butoxy-3-formylphenylboronic acid,
ACMC-209plr,
CTK8B2357,
DTXSID50743096,
ANW-37453,
MFCD21609539,
AKOS022186707,
ZINC169964787,
OR360829,
AX8283956,
TC-126198,
V7855,
B-9309,
C11H15BO4,
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| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.047g/mol |
| Monoisotopic Mass | 222.106g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 66.8A^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