Lithium (5-cyanopyridin-2-yl)trihydroxyborate - CAS 1393822-91-7
Catalog: |
BB063830 |
Product Name: |
Lithium (5-cyanopyridin-2-yl)trihydroxyborate |
CAS: |
1393822-91-7 |
Synonyms: |
LITHIUM (5-CYANOPYRIDIN-2-YL)TRIHYDROXYBORATE; lithium; (5-cyanopyridin-2-yl)-trihydroxyboranuide; LITHIUM(5-CYANOPYRIDIN-2-YL)TRIHYDROXYBORATE |
IUPAC Name: | lithium(5-cyanopyridin-2-yl)-trihydroxyboranuide |
Description: | Lithium (5-cyanopyridin-2-yl)trihydroxyborate |
Molecular Weight: | 171.88 |
Molecular Formula: | C6H6BLiN2O3 |
Canonical SMILES: | [Li+].[B-](C1=NC=C(C=C1)C#N)(O)(O)O |
InChI: | InChI=1S/C6H6BN2O3.Li/c8-3-5-1-2-6(9-4-5)7(10,11)12/h1-2,4,10-12H/q-1+1 |
InChI Key: | BQFQSGZYIICSCT-UHFFFAOYSA-N |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.0631507 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.0631507 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 97.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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