CID 158421682

CH4BO2 — CID 158421682

IUPAC—
SMILESCO.[B]=O
InChIInChI=1S/CH4O.BO/c2*1-2/h2H,1H3;
InChIKeyHAOHPCOCULLLJU-UHFFFAOYSA-N
MW58.85 g/mol
LogP-0.89
Rot. Bonds

About CID 158421682

CID 158421682 (PubChem CID 158421682) has the molecular formula CH4BO2 and a molecular weight of 58.85 g/mol.

Molecular Properties

Compound NameCID 158421682
PubChem CID158421682
Molecular FormulaCH4BO2
Molecular Weight58.85 g/mol
Exact Mass59.03
IUPAC Name—
SMILESCO.[B]=O
InChIInChI=1S/CH4O.BO/c2*1-2/h2H,1H3;
InChIKeyHAOHPCOCULLLJU-UHFFFAOYSA-N
XLogP-0.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50058.85
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 158421682?
The IUPAC name of CID 158421682 (CID 158421682) is not available.
What is the SMILES notation for CID 158421682?
The canonical SMILES for CID 158421682 is CO.[B]=O.
What is the InChIKey of CID 158421682?
The InChIKey is HAOHPCOCULLLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O.BO/c2*1-2/h2H,1H3;.
What are the key properties of CID 158421682?
CID 158421682 has a molecular weight of 58.85 g/mol, XLogP of -0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158421682 is sourced from PubChem (CID 158421682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).