sodium trihydroxy(phenyl)boranuide

C6H8BNaO3 — CID 44629933

IUPACsodium trihydroxy(phenyl)boranuide
SMILESO[B-](O)(O)c1ccccc1.[Na+]
InChIInChI=1S/C6H8BO3.Na/c8-7(9,10)6-4-2-1-3-5-6;/h1-5,8-10H;/q-1;+1
InChIKeyZNXSFEXRXNJDNK-UHFFFAOYSA-N
MW161.93 g/mol
LogP-4.19
Rot. Bonds1

About sodium trihydroxy(phenyl)boranuide

sodium trihydroxy(phenyl)boranuide (PubChem CID 44629933) has the molecular formula C6H8BNaO3 and a molecular weight of 161.93 g/mol. Its IUPAC name is sodium trihydroxy(phenyl)boranuide.

Molecular Properties

Compound Namesodium trihydroxy(phenyl)boranuide
PubChem CID44629933
Molecular FormulaC6H8BNaO3
Molecular Weight161.93 g/mol
Exact Mass162.05
IUPAC Namesodium trihydroxy(phenyl)boranuide
SMILESO[B-](O)(O)c1ccccc1.[Na+]
InChIInChI=1S/C6H8BO3.Na/c8-7(9,10)6-4-2-1-3-5-6;/h1-5,8-10H;/q-1;+1
InChIKeyZNXSFEXRXNJDNK-UHFFFAOYSA-N
XLogP-4.19
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.93
LogP ≤ 5-4.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium trihydroxy(phenyl)boranuide?
The IUPAC name of sodium trihydroxy(phenyl)boranuide (CID 44629933) is sodium trihydroxy(phenyl)boranuide.
What is the SMILES notation for sodium trihydroxy(phenyl)boranuide?
The canonical SMILES for sodium trihydroxy(phenyl)boranuide is O[B-](O)(O)c1ccccc1.[Na+].
What is the InChIKey of sodium trihydroxy(phenyl)boranuide?
The InChIKey is ZNXSFEXRXNJDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BO3.Na/c8-7(9,10)6-4-2-1-3-5-6;/h1-5,8-10H;/q-1;+1.
What are the key properties of sodium trihydroxy(phenyl)boranuide?
sodium trihydroxy(phenyl)boranuide has a molecular weight of 161.93 g/mol, XLogP of -4.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium trihydroxy(phenyl)boranuide is sourced from PubChem (CID 44629933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).