CID 174824016

C2H4BO2+ — CID 174824016

IUPAC—
SMILES[B]OC(C)=O.[H+]
InChIInChI=1S/C2H3BO2/c1-2(4)5-3/h1H3/p+1
InChIKeyKXHASNSMMQNKFI-UHFFFAOYSA-O
MW70.86 g/mol
LogP-0.25
Rot. Bonds

About CID 174824016

CID 174824016 (PubChem CID 174824016) has the molecular formula C2H4BO2+ and a molecular weight of 70.86 g/mol.

Molecular Properties

Compound NameCID 174824016
PubChem CID174824016
Molecular FormulaC2H4BO2+
Molecular Weight70.86 g/mol
Exact Mass71.03
IUPAC Name—
SMILES[B]OC(C)=O.[H+]
InChIInChI=1S/C2H3BO2/c1-2(4)5-3/h1H3/p+1
InChIKeyKXHASNSMMQNKFI-UHFFFAOYSA-O
XLogP-0.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.86
LogP ≤ 5-0.25
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 174824016?
The IUPAC name of CID 174824016 (CID 174824016) is not available.
What is the SMILES notation for CID 174824016?
The canonical SMILES for CID 174824016 is [B]OC(C)=O.[H+].
What is the InChIKey of CID 174824016?
The InChIKey is KXHASNSMMQNKFI-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H3BO2/c1-2(4)5-3/h1H3/p+1.
What are the key properties of CID 174824016?
CID 174824016 has a molecular weight of 70.86 g/mol, XLogP of -0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174824016 is sourced from PubChem (CID 174824016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).