3-Borono-5-methoxy-benzoic Acid 1-Methyl Ester - CAS 1048330-11-5
Catalog: |
BB072388 |
Product Name: |
3-Borono-5-methoxy-benzoic Acid 1-Methyl Ester |
CAS: |
1048330-11-5 |
Synonyms: |
(3-Methoxy-5-(methoxycarbonyl)phenyl)boronic acid; [3-METHOXY-5-(METHOXYCARBONYL)PHENYL]BORONIC ACID; 3-Borono-5-methoxy-benzoic acid,1-methyl ester; 3-Methoxy-5-Methoxycarbonylphenylboronic acid; (3-methoxy-5-methoxycarbonylphenyl)boronic acid; 3-METHOXY-5-(METHOXYCARBONYL)PHENYLBORONIC ACID |
IUPAC Name: | (3-methoxy-5-methoxycarbonylphenyl)boronic acid |
Description: | 3-Borono-5-methoxy-benzoic acid,1-methyl ester |
Molecular Weight: | 209.99 |
Molecular Formula: | C9H11BO5 |
Canonical SMILES: | B(C1=CC(=CC(=C1)OC)C(=O)OC)(O)O |
InChI: | InChI=1S/C9H11BO5/c1-14-8-4-6(9(11)15-2)3-7(5-8)10(12)13/h3-5,12-13H,1-2H3 |
InChI Key: | OFUYEZFEGZXILY-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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.0699536 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 76Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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