Carboxymethyl oxyimino acetophenone

C₁₀H₁₁NO₃ — CID 6391493

About Carboxymethyl oxyimino acetophenone

Carboxymethyl oxyimino acetophenone (PubChem CID 6391493) has the molecular formula C₁₀H₁₁NO₃ and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-[(Z)-1-phenylethylideneamino]oxyacetic acid.

Molecular Properties

• Compound Name: Carboxymethyl oxyimino acetophenone
• PubChem CID: 6391493
• Molecular Formula: C₁₀H₁₁NO₃
• Molecular Weight: 193.20 g/mol
• Exact Mass: 193.07
• IUPAC Name: 2-[(Z)-1-phenylethylideneamino]oxyacetic acid
• SMILES: C/C(=N/OCC(=O)O)c1ccccc1
• InChI: InChI=1S/C10H11NO3/c1-8(11-14-7-10(12)13)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,13)/b11-8-
• InChIKey: RCSPUQDYCFCXCV-FLIBITNWSA-N
• XLogP: 1.51
• TPSA: 58.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	193.20
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Carboxymethyl oxyimino acetophenone?

The IUPAC name of Carboxymethyl oxyimino acetophenone (CID 6391493) is 2-[(Z)-1-phenylethylideneamino]oxyacetic acid.

What is the SMILES notation for Carboxymethyl oxyimino acetophenone?

The canonical SMILES for Carboxymethyl oxyimino acetophenone is C/C(=N/OCC(=O)O)c1ccccc1.

What is the InChIKey of Carboxymethyl oxyimino acetophenone?

The InChIKey is RCSPUQDYCFCXCV-FLIBITNWSA-N. The full InChI is InChI=1S/C10H11NO3/c1-8(11-14-7-10(12)13)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,13)/b11-8-.

What are the key properties of Carboxymethyl oxyimino acetophenone?

Carboxymethyl oxyimino acetophenone has a molecular weight of 193.20 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Carboxymethyl oxyimino acetophenone is sourced from PubChem (CID 6391493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6391493 — identifiers, structure, computed properties (public domain)

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