CID 87293530

C7H6BO2 — CID 87293530

IUPAC—
SMILESO=C(O)c1ccccc1.[B]
InChIInChI=1S/C7H6O2.B/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);
InChIKeyXSAYDZQYEBSZFM-UHFFFAOYSA-N
MW132.93 g/mol
LogP1.00
Rot. Bonds1

About CID 87293530

CID 87293530 (PubChem CID 87293530) has the molecular formula C7H6BO2 and a molecular weight of 132.93 g/mol.

Molecular Properties

Compound NameCID 87293530
PubChem CID87293530
Molecular FormulaC7H6BO2
Molecular Weight132.93 g/mol
Exact Mass133.05
IUPAC Name—
SMILESO=C(O)c1ccccc1.[B]
InChIInChI=1S/C7H6O2.B/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);
InChIKeyXSAYDZQYEBSZFM-UHFFFAOYSA-N
XLogP1.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.93
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 87293530?
The IUPAC name of CID 87293530 (CID 87293530) is not available.
What is the SMILES notation for CID 87293530?
The canonical SMILES for CID 87293530 is O=C(O)c1ccccc1.[B].
What is the InChIKey of CID 87293530?
The InChIKey is XSAYDZQYEBSZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.B/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);.
What are the key properties of CID 87293530?
CID 87293530 has a molecular weight of 132.93 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87293530 is sourced from PubChem (CID 87293530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).