3-(Methoxycarbonyl)-5-methylphenylboronic acid - CAS 929626-18-6
Catalog: |
BB076115 |
Product Name: |
3-(Methoxycarbonyl)-5-methylphenylboronic acid |
CAS: |
929626-18-6 |
Synonyms: |
(3-(Methoxycarbonyl)-5-methylphenyl)boronic acid; 3-METHOXYCARBONYL-5-METHYLPHENYLBORONIC ACID; 3-(Methoxycarbonyl)-5-methylphenylboronic acid; (3-methoxycarbonyl-5-methylphenyl)boronic acid; [3-(Methoxycarbonyl)-5-methylphenyl]boronic acid |
IUPAC Name: | (3-methoxycarbonyl-5-methylphenyl)boronic acid |
Description: | 3-(Methoxycarbonyl)-5-methylphenylboronic acid |
Molecular Weight: | 193.99 |
Molecular Formula: | C9H11BO4 |
Canonical SMILES: | B(C1=CC(=CC(=C1)C(=O)OC)C)(O)O |
InChI: | InChI=1S/C9H11BO4/c1-6-3-7(9(11)14-2)5-8(4-6)10(12)13/h3-5,12-13H,1-2H3 |
InChI Key: | NXVIETJDAUYFAD-UHFFFAOYSA-N |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.075039 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.075039 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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