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

C7H6NO3- — CID 135455554

IUPAC5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate
SMILES[O-]c1cc(O)ccc1/C=N/O
InChIInChI=1S/C7H7NO3/c9-6-2-1-5(4-8-11)7(10)3-6/h1-4,9-11H/p-1/b8-4+
InChIKeyYIAZXUFZAYNWTP-XBXARRHUSA-M
MW152.13 g/mol
LogP0.27
Rot. Bonds1

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 Name5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate
PubChem CID135455554
Molecular FormulaC7H6NO3-
Molecular Weight152.13 g/mol
Exact Mass152.04
IUPAC Name5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate
SMILES[O-]c1cc(O)ccc1/C=N/O
InChIInChI=1S/C7H7NO3/c9-6-2-1-5(4-8-11)7(10)3-6/h1-4,9-11H/p-1/b8-4+
InChIKeyYIAZXUFZAYNWTP-XBXARRHUSA-M
XLogP0.27
TPSA75.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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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).