CID 174902971

C3H5B3O2 — CID 174902971

IUPAC—
SMILESO=C=O.[B][B][B]CC
InChIInChI=1S/C2H5B3.CO2/c1-2-4-5-3;2-1-3/h2H2,1H3;
InChIKeyBDIBJLJMOHZEIA-UHFFFAOYSA-N
MW105.51 g/mol
LogP-0.75
Rot. Bonds2

About CID 174902971

CID 174902971 (PubChem CID 174902971) has the molecular formula C3H5B3O2 and a molecular weight of 105.51 g/mol.

Molecular Properties

Compound NameCID 174902971
PubChem CID174902971
Molecular FormulaC3H5B3O2
Molecular Weight105.51 g/mol
Exact Mass106.06
IUPAC Name—
SMILESO=C=O.[B][B][B]CC
InChIInChI=1S/C2H5B3.CO2/c1-2-4-5-3;2-1-3/h2H2,1H3;
InChIKeyBDIBJLJMOHZEIA-UHFFFAOYSA-N
XLogP-0.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.51
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 174902971?
The IUPAC name of CID 174902971 (CID 174902971) is not available.
What is the SMILES notation for CID 174902971?
The canonical SMILES for CID 174902971 is O=C=O.[B][B][B]CC.
What is the InChIKey of CID 174902971?
The InChIKey is BDIBJLJMOHZEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5B3.CO2/c1-2-4-5-3;2-1-3/h2H2,1H3;.
What are the key properties of CID 174902971?
CID 174902971 has a molecular weight of 105.51 g/mol, XLogP of -0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174902971 is sourced from PubChem (CID 174902971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).