4-[(E)-methoxyiminomethyl]benzoic acid

C9H9NO3 — CID 6892928

IUPAC4-[(E)-methoxyiminomethyl]benzoic acid
SMILESCO/N=C/c1ccc(C(=O)O)cc1
InChIInChI=1S/C9H9NO3/c1-13-10-6-7-2-4-8(5-3-7)9(11)12/h2-6H,1H3,(H,11,12)/b10-6+
InChIKeyGOJYSIUTEMBHIG-UXBLZVDNSA-N
MW179.17 g/mol
LogP1.37
Rot. Bonds3

About 4-[(E)-methoxyiminomethyl]benzoic acid

4-[(E)-methoxyiminomethyl]benzoic acid (PubChem CID 6892928) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 4-[(E)-methoxyiminomethyl]benzoic acid.

Molecular Properties

Compound Name4-[(E)-methoxyiminomethyl]benzoic acid
PubChem CID6892928
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name4-[(E)-methoxyiminomethyl]benzoic acid
SMILESCO/N=C/c1ccc(C(=O)O)cc1
InChIInChI=1S/C9H9NO3/c1-13-10-6-7-2-4-8(5-3-7)9(11)12/h2-6H,1H3,(H,11,12)/b10-6+
InChIKeyGOJYSIUTEMBHIG-UXBLZVDNSA-N
XLogP1.37
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-methoxyiminomethyl]benzoic acid?
The IUPAC name of 4-[(E)-methoxyiminomethyl]benzoic acid (CID 6892928) is 4-[(E)-methoxyiminomethyl]benzoic acid.
What is the SMILES notation for 4-[(E)-methoxyiminomethyl]benzoic acid?
The canonical SMILES for 4-[(E)-methoxyiminomethyl]benzoic acid is CO/N=C/c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(E)-methoxyiminomethyl]benzoic acid?
The InChIKey is GOJYSIUTEMBHIG-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H9NO3/c1-13-10-6-7-2-4-8(5-3-7)9(11)12/h2-6H,1H3,(H,11,12)/b10-6+.
What are the key properties of 4-[(E)-methoxyiminomethyl]benzoic acid?
4-[(E)-methoxyiminomethyl]benzoic acid has a molecular weight of 179.17 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-methoxyiminomethyl]benzoic acid is sourced from PubChem (CID 6892928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).