5-Carboxy-2-ethoxyphenylboronic acid - CAS 1451391-73-3
Catalog: |
BB070585 |
Product Name: |
5-Carboxy-2-ethoxyphenylboronic acid |
CAS: |
1451391-73-3 |
Synonyms: |
5-Carboxy-2-ethoxyphenylboronic acid; 3-borono-4-ethoxybenzoic acid; 5-Carboxy-2-ethoxyphenylboronicacid |
IUPAC Name: | 3-borono-4-ethoxybenzoic acid |
Description: | 5-Carboxy-2-ethoxyphenylboronic acid |
Molecular Weight: | 209.99 |
Molecular Formula: | C9H11BO5 |
Canonical SMILES: | B(C1=C(C=CC(=C1)C(=O)O)OCC)(O)O |
InChI: | InChI=1S/C9H11BO5/c1-2-15-8-4-3-6(9(11)12)5-7(8)10(13)14/h3-5,13-14H,2H2,1H3,(H,11,12) |
InChI Key: | CMUVOHRXIPPHFW-UHFFFAOYSA-N |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.0699536 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.0699536 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 87Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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