(3-Formyloxyphenyl)boronic acid - CAS 1309981-04-1
Catalog: |
BB064589 |
Product Name: |
(3-Formyloxyphenyl)boronic acid |
CAS: |
1309981-04-1 |
Synonyms: |
(3-formyloxyphenyl)boronic acid; Benzeneboronic acid, m-carboxy-; (3-(Formyloxy)phenyl)boronic acid; m-Carboxybenzeneboronic acid; Benzoic acid, m-borono- |
IUPAC Name: | (3-formyloxyphenyl)boronic acid |
Description: | (3-Formyloxyphenyl)boronic acid |
Molecular Weight: | 165.94 |
Molecular Formula: | C7H7BO4 |
Canonical SMILES: | B(C1=CC(=CC=C1)OC=O)(O)O |
InChI: | InChI=1S/C7H7BO4/c9-5-12-7-3-1-2-6(4-7)8(10)11/h1-5,10-11H |
InChI Key: | CGKZLXUMUJKVPS-UHFFFAOYSA-N |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.0437389 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.0437389 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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