CID 71182037

C6H8B3O6 — CID 71182037

IUPAC—
SMILESO[B]Oc1cc(B(O)O)cc(B(O)O)c1
InChIInChI=1S/C6H8B3O6/c10-7-15-6-2-4(8(11)12)1-5(3-6)9(13)14/h1-3,10-14H
InChIKeyHDCTYTFXFVUKIX-UHFFFAOYSA-N
MW208.56 g/mol
LogP-4.05
Rot. Bonds4

About CID 71182037

CID 71182037 (PubChem CID 71182037) has the molecular formula C6H8B3O6 and a molecular weight of 208.56 g/mol.

Molecular Properties

Compound NameCID 71182037
PubChem CID71182037
Molecular FormulaC6H8B3O6
Molecular Weight208.56 g/mol
Exact Mass209.06
IUPAC Name—
SMILESO[B]Oc1cc(B(O)O)cc(B(O)O)c1
InChIInChI=1S/C6H8B3O6/c10-7-15-6-2-4(8(11)12)1-5(3-6)9(13)14/h1-3,10-14H
InChIKeyHDCTYTFXFVUKIX-UHFFFAOYSA-N
XLogP-4.05
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.56
LogP ≤ 5-4.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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 71182037?
The IUPAC name of CID 71182037 (CID 71182037) is not available.
What is the SMILES notation for CID 71182037?
The canonical SMILES for CID 71182037 is O[B]Oc1cc(B(O)O)cc(B(O)O)c1.
What is the InChIKey of CID 71182037?
The InChIKey is HDCTYTFXFVUKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8B3O6/c10-7-15-6-2-4(8(11)12)1-5(3-6)9(13)14/h1-3,10-14H.
What are the key properties of CID 71182037?
CID 71182037 has a molecular weight of 208.56 g/mol, XLogP of -4.05, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71182037 is sourced from PubChem (CID 71182037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).