2-carboxy-6-(hydroxyiminomethyl)phenolate

C8H6NO4- — CID 135480902

IUPAC2-carboxy-6-(hydroxyiminomethyl)phenolate
SMILESO=C(O)c1cccc(C=NO)c1[O-]
InChIInChI=1S/C8H7NO4/c10-7-5(4-9-13)2-1-3-6(7)8(11)12/h1-4,10,13H,(H,11,12)/p-1
InChIKeyODJUAOYUYSAJAY-UHFFFAOYSA-M
MW180.14 g/mol
LogP0.27
Rot. Bonds2

About 2-carboxy-6-(hydroxyiminomethyl)phenolate

2-carboxy-6-(hydroxyiminomethyl)phenolate (PubChem CID 135480902) has the molecular formula C8H6NO4- and a molecular weight of 180.14 g/mol. Its IUPAC name is 2-carboxy-6-(hydroxyiminomethyl)phenolate.

Molecular Properties

Compound Name2-carboxy-6-(hydroxyiminomethyl)phenolate
PubChem CID135480902
Molecular FormulaC8H6NO4-
Molecular Weight180.14 g/mol
Exact Mass180.03
IUPAC Name2-carboxy-6-(hydroxyiminomethyl)phenolate
SMILESO=C(O)c1cccc(C=NO)c1[O-]
InChIInChI=1S/C8H7NO4/c10-7-5(4-9-13)2-1-3-6(7)8(11)12/h1-4,10,13H,(H,11,12)/p-1
InChIKeyODJUAOYUYSAJAY-UHFFFAOYSA-M
XLogP0.27
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
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'}

Analyze 2-carboxy-6-(hydroxyiminomethyl)phenolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

aluminum tris(2-carboxy-6-formylphenolate)
CID 173060925
3-bromo-2-[(E)-hydroxyiminomethyl]benzoic acid
CID 87554289
2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid
CID 69303300
4-(hydroxyiminomethyl)benzene-1,3-dicarboxylic acid
CID 143094529
3-formyl-2-iodobenzoic acid
CID 71422161
3,6-dicarboxybenzene-1,2-diolate;manganese(2+)
CID 67068164
2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-6-methoxyphenolate
CID 135708289
3-(hydroxyiminomethyl)-2-methoxybenzamide
CID 143987330
2-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylic acid
CID 174908564
calcium bis(2-carboxy-6-methoxyphenolate)
CID 158722601
2-fluoro-3-prop-1-enylbenzoic acid
CID 67068425
3-formyl-2-(2-formylphenyl)benzoic acid
CID 87124248

Frequently Asked Questions

What is the IUPAC name of 2-carboxy-6-(hydroxyiminomethyl)phenolate?
The IUPAC name of 2-carboxy-6-(hydroxyiminomethyl)phenolate (CID 135480902) is 2-carboxy-6-(hydroxyiminomethyl)phenolate.
What is the SMILES notation for 2-carboxy-6-(hydroxyiminomethyl)phenolate?
The canonical SMILES for 2-carboxy-6-(hydroxyiminomethyl)phenolate is O=C(O)c1cccc(C=NO)c1[O-].
What is the InChIKey of 2-carboxy-6-(hydroxyiminomethyl)phenolate?
The InChIKey is ODJUAOYUYSAJAY-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7NO4/c10-7-5(4-9-13)2-1-3-6(7)8(11)12/h1-4,10,13H,(H,11,12)/p-1.
What are the key properties of 2-carboxy-6-(hydroxyiminomethyl)phenolate?
2-carboxy-6-(hydroxyiminomethyl)phenolate has a molecular weight of 180.14 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxy-6-(hydroxyiminomethyl)phenolate is sourced from PubChem (CID 135480902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).