4-Butoxy-3-formylphenylboronic acid - CAS 815619-87-5
Catalog: |
BB071496 |
Product Name: |
4-Butoxy-3-formylphenylboronic acid |
CAS: |
815619-87-5 |
Synonyms: |
(4-Butoxy-3-formylphenyl)boronic acid; 4-Butoxy-3-formylphenylboronic acid; (4-Butoxy-3-formylphenyl)boronicacid |
IUPAC Name: | (4-butoxy-3-formylphenyl)boronic acid |
Description: | 4-Butoxy-3-formylphenylboronic acid |
Molecular Weight: | 222.05 |
Molecular Formula: | C11H15BO4 |
Canonical SMILES: | B(C1=CC(=C(C=C1)OCCCC)C=O)(O)O |
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 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.1063391 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.1063391 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 66.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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