2-hydroxy-5-[(E)-methoxyiminomethyl]benzoic acid

C9H9NO4 — CID 135598743

IUPAC2-hydroxy-5-[(E)-methoxyiminomethyl]benzoic acid
SMILESCO/N=C/c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C9H9NO4/c1-14-10-5-6-2-3-8(11)7(4-6)9(12)13/h2-5,11H,1H3,(H,12,13)/b10-5+
InChIKeyWYKHMCDAKHYWDM-BJMVGYQFSA-N
MW195.17 g/mol
LogP1.07
Rot. Bonds3

About 2-hydroxy-5-[(E)-methoxyiminomethyl]benzoic acid

2-hydroxy-5-[(E)-methoxyiminomethyl]benzoic acid (PubChem CID 135598743) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 2-hydroxy-5-[(E)-methoxyiminomethyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(E)-methoxyiminomethyl]benzoic acid
PubChem CID135598743
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name2-hydroxy-5-[(E)-methoxyiminomethyl]benzoic acid
SMILESCO/N=C/c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C9H9NO4/c1-14-10-5-6-2-3-8(11)7(4-6)9(12)13/h2-5,11H,1H3,(H,12,13)/b10-5+
InChIKeyWYKHMCDAKHYWDM-BJMVGYQFSA-N
XLogP1.07
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-methoxyiminomethyl]benzene-1,2-diol
CID 135443391
2-hydroxy-5-methanehydrazonoylbenzoic acid
CID 168528918
2-hydroxy-5-(3-methoxy-3-oxoprop-1-enyl)benzoic acid
CID 66771929
methyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate
CID 90187627
2-(hydroxymethyl)-4-[(E)-methoxyiminomethyl]phenol
CID 137263283
2-hydroxy-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 50885253
2,5-dihydroxybenzoic acid;methanol
CID 174970806
methyl 2-hydroxy-5-[1-[(4-hydroxy-3-methoxycarbonylphenyl)methylideneamino]ethenyliminomethyl]benzoate
CID 158303991
5-[(E)-hydroxyiminomethyl]-2-methoxybenzoic acid
CID 126055980
5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid
CID 54231084
5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hydroxybenzoic acid
CID 59595410
5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-hydroxybenzoic acid
CID 18991498

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(E)-methoxyiminomethyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(E)-methoxyiminomethyl]benzoic acid (CID 135598743) is 2-hydroxy-5-[(E)-methoxyiminomethyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(E)-methoxyiminomethyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(E)-methoxyiminomethyl]benzoic acid is CO/N=C/c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-[(E)-methoxyiminomethyl]benzoic acid?
The InChIKey is WYKHMCDAKHYWDM-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H9NO4/c1-14-10-5-6-2-3-8(11)7(4-6)9(12)13/h2-5,11H,1H3,(H,12,13)/b10-5+.
What are the key properties of 2-hydroxy-5-[(E)-methoxyiminomethyl]benzoic acid?
2-hydroxy-5-[(E)-methoxyiminomethyl]benzoic acid has a molecular weight of 195.17 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(E)-methoxyiminomethyl]benzoic acid is sourced from PubChem (CID 135598743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).