CID 20675291

C6H9BO4 — CID 20675291

IUPAC—
SMILES[B]C1OC2(CO)COC1C2O
InChIInChI=1S/C6H9BO4/c7-5-3-4(9)6(1-8,11-5)2-10-3/h3-5,8-9H,1-2H2
InChIKeyINILKQLXYVIACE-UHFFFAOYSA-N
MW155.95 g/mol
LogP-2.00
Rot. Bonds1

About CID 20675291

CID 20675291 (PubChem CID 20675291) has the molecular formula C6H9BO4 and a molecular weight of 155.95 g/mol.

Molecular Properties

Compound NameCID 20675291
PubChem CID20675291
Molecular FormulaC6H9BO4
Molecular Weight155.95 g/mol
Exact Mass156.06
IUPAC Name—
SMILES[B]C1OC2(CO)COC1C2O
InChIInChI=1S/C6H9BO4/c7-5-3-4(9)6(1-8,11-5)2-10-3/h3-5,8-9H,1-2H2
InChIKeyINILKQLXYVIACE-UHFFFAOYSA-N
XLogP-2.00
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.95
LogP ≤ 5-2.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 20675291?
The IUPAC name of CID 20675291 (CID 20675291) is not available.
What is the SMILES notation for CID 20675291?
The canonical SMILES for CID 20675291 is [B]C1OC2(CO)COC1C2O.
What is the InChIKey of CID 20675291?
The InChIKey is INILKQLXYVIACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BO4/c7-5-3-4(9)6(1-8,11-5)2-10-3/h3-5,8-9H,1-2H2.
What are the key properties of CID 20675291?
CID 20675291 has a molecular weight of 155.95 g/mol, XLogP of -2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20675291 is sourced from PubChem (CID 20675291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).