1-Acetylpyrrolidin-2-ylboronic Acid - CAS 116150-20-0
Catalog: |
BB075429 |
Product Name: |
1-Acetylpyrrolidin-2-ylboronic Acid |
CAS: |
116150-20-0 |
Synonyms: |
(±)-(1-Acetyl-2-pyrrolidinyl)boronic Acid |
IUPAC Name: | (1-acetylpyrrolidin-2-yl)boronic acid |
Molecular Weight: | 156.98 |
Molecular Formula: | C6H12BNO3 |
Canonical SMILES: | B(C1CCCN1C(=O)C)(O)O |
InChI: | InChI=1S/C6H12BNO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6,10-11H,2-4H2,1H3 |
InChI Key: | WTJDJKWJLYRNPJ-UHFFFAOYSA-N |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.0910234 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.0910234 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 60.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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