CID 173204441

CH3BLiO3 — CID 173204441

IUPAC—
SMILESO=C(O)O.[B].[H-].[Li+]
InChIInChI=1S/CH2O3.B.Li.H/c2-1(3)4;;;/h(H2,2,3,4);;;/q;;+1;-1
InChIKeyCKGFRAKTBAVTLY-UHFFFAOYSA-N
MW80.78 g/mol
LogP-3.04
Rot. Bonds

About CID 173204441

CID 173204441 (PubChem CID 173204441) has the molecular formula CH3BLiO3 and a molecular weight of 80.78 g/mol.

Molecular Properties

Compound NameCID 173204441
PubChem CID173204441
Molecular FormulaCH3BLiO3
Molecular Weight80.78 g/mol
Exact Mass81.03
IUPAC Name—
SMILESO=C(O)O.[B].[H-].[Li+]
InChIInChI=1S/CH2O3.B.Li.H/c2-1(3)4;;;/h(H2,2,3,4);;;/q;;+1;-1
InChIKeyCKGFRAKTBAVTLY-UHFFFAOYSA-N
XLogP-3.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.78
LogP ≤ 5-3.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173204441?
The IUPAC name of CID 173204441 (CID 173204441) is not available.
What is the SMILES notation for CID 173204441?
The canonical SMILES for CID 173204441 is O=C(O)O.[B].[H-].[Li+].
What is the InChIKey of CID 173204441?
The InChIKey is CKGFRAKTBAVTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.B.Li.H/c2-1(3)4;;;/h(H2,2,3,4);;;/q;;+1;-1.
What are the key properties of CID 173204441?
CID 173204441 has a molecular weight of 80.78 g/mol, XLogP of -3.04, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173204441 is sourced from PubChem (CID 173204441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).