benzoic acid;iodic acid

C7H7IO5 — CID 160522551

IUPACbenzoic acid;iodic acid
SMILESO=C(O)c1ccccc1.[O-][I+2]([O-])O
InChIInChI=1S/C7H6O2.HIO3/c8-7(9)6-4-2-1-3-5-6;2-1(3)4/h1-5H,(H,8,9);2H
InChIKeyQULUKOGHBPGYGC-UHFFFAOYSA-N
MW298.03 g/mol
LogP-4.55
Rot. Bonds1

About benzoic acid;iodic acid

benzoic acid;iodic acid (PubChem CID 160522551) has the molecular formula C7H7IO5 and a molecular weight of 298.03 g/mol. Its IUPAC name is benzoic acid;iodic acid.

Molecular Properties

Compound Namebenzoic acid;iodic acid
PubChem CID160522551
Molecular FormulaC7H7IO5
Molecular Weight298.03 g/mol
Exact Mass297.93
IUPAC Namebenzoic acid;iodic acid
SMILESO=C(O)c1ccccc1.[O-][I+2]([O-])O
InChIInChI=1S/C7H6O2.HIO3/c8-7(9)6-4-2-1-3-5-6;2-1(3)4/h1-5H,(H,8,9);2H
InChIKeyQULUKOGHBPGYGC-UHFFFAOYSA-N
XLogP-4.55
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.03
LogP ≤ 5-4.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzoic acid;iodic acid?
The IUPAC name of benzoic acid;iodic acid (CID 160522551) is benzoic acid;iodic acid.
What is the SMILES notation for benzoic acid;iodic acid?
The canonical SMILES for benzoic acid;iodic acid is O=C(O)c1ccccc1.[O-][I+2]([O-])O.
What is the InChIKey of benzoic acid;iodic acid?
The InChIKey is QULUKOGHBPGYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.HIO3/c8-7(9)6-4-2-1-3-5-6;2-1(3)4/h1-5H,(H,8,9);2H.
What are the key properties of benzoic acid;iodic acid?
benzoic acid;iodic acid has a molecular weight of 298.03 g/mol, XLogP of -4.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;iodic acid is sourced from PubChem (CID 160522551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).