CID 159871372

H3BNa3O3 — CID 159871372

IUPAC—
SMILESOB(O)O.[Na].[Na].[Na]
InChIInChI=1S/BH3O3.3Na/c2-1(3)4;;;/h2-4H;;;
InChIKeyNSJUABOWQSLBEJ-UHFFFAOYSA-N
MW130.80 g/mol
LogP-3.19
Rot. Bonds

About CID 159871372

CID 159871372 (PubChem CID 159871372) has the molecular formula H3BNa3O3 and a molecular weight of 130.80 g/mol.

Molecular Properties

Compound NameCID 159871372
PubChem CID159871372
Molecular FormulaH3BNa3O3
Molecular Weight130.80 g/mol
Exact Mass130.99
IUPAC Name—
SMILESOB(O)O.[Na].[Na].[Na]
InChIInChI=1S/BH3O3.3Na/c2-1(3)4;;;/h2-4H;;;
InChIKeyNSJUABOWQSLBEJ-UHFFFAOYSA-N
XLogP-3.19
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.80
LogP ≤ 5-3.19
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 CID 159871372?
The IUPAC name of CID 159871372 (CID 159871372) is not available.
What is the SMILES notation for CID 159871372?
The canonical SMILES for CID 159871372 is OB(O)O.[Na].[Na].[Na].
What is the InChIKey of CID 159871372?
The InChIKey is NSJUABOWQSLBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/BH3O3.3Na/c2-1(3)4;;;/h2-4H;;;.
What are the key properties of CID 159871372?
CID 159871372 has a molecular weight of 130.80 g/mol, XLogP of -3.19, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159871372 is sourced from PubChem (CID 159871372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).