3-(Methoxycarbonyl)thiophene-2-boronic acid - CAS 1310383-30-2
Catalog: |
BB053595 |
Product Name: |
3-(Methoxycarbonyl)thiophene-2-boronic acid |
CAS: |
1310383-30-2 |
Synonyms: |
(3-(Methoxycarbonyl)thiophen-2-yl)boronic acid |
IUPAC Name: | (3-methoxycarbonylthiophen-2-yl)boronic acid |
Molecular Weight: | 186.0 |
Molecular Formula: | C6H7BO4S |
Canonical SMILES: | B(C1=C(C=CS1)C(=O)OC)(O)O |
InChI: | InChI=1S/C6H7BO4S/c1-11-6(8)4-2-3-12-5(4)7(9)10/h2-3,9-10H,1H3 |
InChI Key: | OCLHCOLQTGDYLB-UHFFFAOYSA-N |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.01581 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.01581 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 95 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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