Borinic acid, methyl ester

CH3BO — CID 11137079

IUPAC—
SMILES[B]OC
InChIInChI=1S/CH3BO/c1-3-2/h1H3
InChIKeyZQJCTSOMGUURGX-UHFFFAOYSA-N
MW41.85 g/mol
LogP-0.28
Rot. Bonds

About Borinic acid, methyl ester

Borinic acid, methyl ester (PubChem CID 11137079) has the molecular formula CH3BO and a molecular weight of 41.85 g/mol.

Molecular Properties

Compound NameBorinic acid, methyl ester
PubChem CID11137079
Molecular FormulaCH3BO
Molecular Weight41.85 g/mol
Exact Mass42.03
IUPAC Name—
SMILES[B]OC
InChIInChI=1S/CH3BO/c1-3-2/h1H3
InChIKeyZQJCTSOMGUURGX-UHFFFAOYSA-N
XLogP-0.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50041.85
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 Borinic acid, methyl ester?
The IUPAC name of Borinic acid, methyl ester (CID 11137079) is not available.
What is the SMILES notation for Borinic acid, methyl ester?
The canonical SMILES for Borinic acid, methyl ester is [B]OC.
What is the InChIKey of Borinic acid, methyl ester?
The InChIKey is ZQJCTSOMGUURGX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3BO/c1-3-2/h1H3.
What are the key properties of Borinic acid, methyl ester?
Borinic acid, methyl ester has a molecular weight of 41.85 g/mol, XLogP of -0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Borinic acid, methyl ester is sourced from PubChem (CID 11137079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).