methyl 2-hydroxyiminoacetate

C3H5NO3 — CID 6821651

IUPACmethyl 2-hydroxyiminoacetate
SMILESCOC(=O)C=NO
InChIInChI=1S/C3H5NO3/c1-7-3(5)2-4-6/h2,6H,1H3
InChIKeyFOOPJRSDKYBEGG-UHFFFAOYSA-N
MW103.08 g/mol
LogP-0.38
Rot. Bonds1

About methyl 2-hydroxyiminoacetate

methyl 2-hydroxyiminoacetate (PubChem CID 6821651) has the molecular formula C3H5NO3 and a molecular weight of 103.08 g/mol. Its IUPAC name is methyl 2-hydroxyiminoacetate.

Molecular Properties

Compound Namemethyl 2-hydroxyiminoacetate
PubChem CID6821651
Molecular FormulaC3H5NO3
Molecular Weight103.08 g/mol
Exact Mass103.03
IUPAC Namemethyl 2-hydroxyiminoacetate
SMILESCOC(=O)C=NO
InChIInChI=1S/C3H5NO3/c1-7-3(5)2-4-6/h2,6H,1H3
InChIKeyFOOPJRSDKYBEGG-UHFFFAOYSA-N
XLogP-0.38
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.08
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxyiminoacetate?
The IUPAC name of methyl 2-hydroxyiminoacetate (CID 6821651) is methyl 2-hydroxyiminoacetate.
What is the SMILES notation for methyl 2-hydroxyiminoacetate?
The canonical SMILES for methyl 2-hydroxyiminoacetate is COC(=O)C=NO.
What is the InChIKey of methyl 2-hydroxyiminoacetate?
The InChIKey is FOOPJRSDKYBEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO3/c1-7-3(5)2-4-6/h2,6H,1H3.
What are the key properties of methyl 2-hydroxyiminoacetate?
methyl 2-hydroxyiminoacetate has a molecular weight of 103.08 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxyiminoacetate is sourced from PubChem (CID 6821651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).