5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate

C₇H₆NO₃- — CID 135455554

About 5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate

5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate (PubChem CID 135455554) has the molecular formula C₇H₆NO₃- and a molecular weight of 152.13 g/mol. Its IUPAC name is 5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate.

Molecular Properties

• Compound Name: 5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate
• PubChem CID: 135455554
• Molecular Formula: C₇H₆NO₃-
• Molecular Weight: 152.13 g/mol
• Exact Mass: 152.04
• IUPAC Name: 5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate
• SMILES: [O-]c1cc(O)ccc1/C=N/O
• InChI: InChI=1S/C7H7NO3/c9-6-2-1-5(4-8-11)7(10)3-6/h1-4,9-11H/p-1/b8-4+
• InChIKey: YIAZXUFZAYNWTP-XBXARRHUSA-M
• XLogP: 0.27
• TPSA: 75.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	152.13
LogP ≤ 5	0.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate?

The IUPAC name of 5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate (CID 135455554) is 5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate.

What is the SMILES notation for 5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate?

The canonical SMILES for 5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate is [O-]c1cc(O)ccc1/C=N/O.

What is the InChIKey of 5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate?

The InChIKey is YIAZXUFZAYNWTP-XBXARRHUSA-M. The full InChI is InChI=1S/C7H7NO3/c9-6-2-1-5(4-8-11)7(10)3-6/h1-4,9-11H/p-1/b8-4+.

What are the key properties of 5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate?

5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate has a molecular weight of 152.13 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate is sourced from PubChem (CID 135455554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135455554 — identifiers, structure, computed properties (public domain)

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