(4-Ethoxy-3-methoxyphenyl)boronic acid - CAS 1189126-30-4
Catalog: |
BB065957 |
Product Name: |
(4-Ethoxy-3-methoxyphenyl)boronic acid |
CAS: |
1189126-30-4 |
Synonyms: |
(4-Ethoxy-3-methoxyphenyl)boronic acid; (4-Ethoxy-3-methoxyphenyl)boronicacid; 4-ETHOXY-3-METHOXYPHENYLBORONIC ACID |
IUPAC Name: | (4-ethoxy-3-methoxyphenyl)boronic acid |
Description: | (4-Ethoxy-3-methoxyphenyl)boronic acid |
Molecular Weight: | 196.01 |
Molecular Formula: | C9H13BO4 |
Canonical SMILES: | B(C1=CC(=C(C=C1)OCC)OC)(O)O |
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 |
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: | 58.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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