(2E)-2-methoxyimino-2-phenylacetic acid

C9H9NO3 — CID 10877710

IUPAC(2E)-2-methoxyimino-2-phenylacetic acid
SMILESCO/N=C(/C(=O)O)c1ccccc1
InChIInChI=1S/C9H9NO3/c1-13-10-8(9(11)12)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,12)/b10-8+
InChIKeyISFFCSPHFNWPST-CSKARUKUSA-N
MW179.17 g/mol
LogP1.12
Rot. Bonds3

About (2E)-2-methoxyimino-2-phenylacetic acid

(2E)-2-methoxyimino-2-phenylacetic acid (PubChem CID 10877710) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is (2E)-2-methoxyimino-2-phenylacetic acid.

Molecular Properties

Compound Name(2E)-2-methoxyimino-2-phenylacetic acid
PubChem CID10877710
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name(2E)-2-methoxyimino-2-phenylacetic acid
SMILESCO/N=C(/C(=O)O)c1ccccc1
InChIInChI=1S/C9H9NO3/c1-13-10-8(9(11)12)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,12)/b10-8+
InChIKeyISFFCSPHFNWPST-CSKARUKUSA-N
XLogP1.12
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 ≤ 51.12
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 (2E)-2-methoxyimino-2-phenylacetic acid?
The IUPAC name of (2E)-2-methoxyimino-2-phenylacetic acid (CID 10877710) is (2E)-2-methoxyimino-2-phenylacetic acid.
What is the SMILES notation for (2E)-2-methoxyimino-2-phenylacetic acid?
The canonical SMILES for (2E)-2-methoxyimino-2-phenylacetic acid is CO/N=C(/C(=O)O)c1ccccc1.
What is the InChIKey of (2E)-2-methoxyimino-2-phenylacetic acid?
The InChIKey is ISFFCSPHFNWPST-CSKARUKUSA-N. The full InChI is InChI=1S/C9H9NO3/c1-13-10-8(9(11)12)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,12)/b10-8+.
What are the key properties of (2E)-2-methoxyimino-2-phenylacetic acid?
(2E)-2-methoxyimino-2-phenylacetic acid has a molecular weight of 179.17 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methoxyimino-2-phenylacetic acid is sourced from PubChem (CID 10877710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).