CID 174570030

C2HBO3 — CID 174570030

IUPAC—
SMILES[B]OC(=O)C=O
InChIInChI=1S/C2HBO3/c3-6-2(5)1-4/h1H
InChIKeyASJOVEQREKNTGU-UHFFFAOYSA-N
MW83.84 g/mol
LogP-1.19
Rot. Bonds1

About CID 174570030

CID 174570030 (PubChem CID 174570030) has the molecular formula C2HBO3 and a molecular weight of 83.84 g/mol.

Molecular Properties

Compound NameCID 174570030
PubChem CID174570030
Molecular FormulaC2HBO3
Molecular Weight83.84 g/mol
Exact Mass84.00
IUPAC Name—
SMILES[B]OC(=O)C=O
InChIInChI=1S/C2HBO3/c3-6-2(5)1-4/h1H
InChIKeyASJOVEQREKNTGU-UHFFFAOYSA-N
XLogP-1.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.84
LogP ≤ 5-1.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174570030?
The IUPAC name of CID 174570030 (CID 174570030) is not available.
What is the SMILES notation for CID 174570030?
The canonical SMILES for CID 174570030 is [B]OC(=O)C=O.
What is the InChIKey of CID 174570030?
The InChIKey is ASJOVEQREKNTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HBO3/c3-6-2(5)1-4/h1H.
What are the key properties of CID 174570030?
CID 174570030 has a molecular weight of 83.84 g/mol, XLogP of -1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174570030 is sourced from PubChem (CID 174570030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).