3-Ethoxy-4-methoxyphenylboronic acid - CAS 915201-13-7
Catalog: |
BB050286 |
Product Name: |
3-Ethoxy-4-methoxyphenylboronic acid |
CAS: |
915201-13-7 |
Synonyms: |
Boronic acid, (3-ethoxy-4-methoxyphenyl)- |
IUPAC Name: | (3-ethoxy-4-methoxyphenyl)boronic acid |
Description: | 3-Ethoxy-4-methoxyphenylboronic acid (CAS# 915201-13-7 ) is a useful research chemical. |
Molecular Weight: | 196.0 |
Molecular Formula: | C9H13BO4 |
Canonical SMILES: | B(C1=CC(=C(C=C1)OC)OCC)(O)O |
InChI: | InChI=1S/C9H13BO4/c1-3-14-9-6-7(10(11)12)4-5-8(9)13-2/h4-6,11-12H,3H2,1-2H3 |
InChI Key: | QQECMULEKNGSEB-UHFFFAOYSA-N |
Purity: | 98 % |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.0906891 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.0906891 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 58.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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