(hydroxy-methoxy-oxidoazaniumyl)oxymethane

C2H7NO4 — CID 163691529

IUPAC(hydroxy-methoxy-oxidoazaniumyl)oxymethane
SMILESCO[N+]([O-])(O)OC
InChIInChI=1S/C2H7NO4/c1-6-3(4,5)7-2/h4H,1-2H3
InChIKeyJTJHAJQAAJKCAY-UHFFFAOYSA-N
MW109.08 g/mol
LogP-0.19
Rot. Bonds2

About (hydroxy-methoxy-oxidoazaniumyl)oxymethane

(hydroxy-methoxy-oxidoazaniumyl)oxymethane (PubChem CID 163691529) has the molecular formula C2H7NO4 and a molecular weight of 109.08 g/mol. Its IUPAC name is (hydroxy-methoxy-oxidoazaniumyl)oxymethane.

Molecular Properties

Compound Name(hydroxy-methoxy-oxidoazaniumyl)oxymethane
PubChem CID163691529
Molecular FormulaC2H7NO4
Molecular Weight109.08 g/mol
Exact Mass109.04
IUPAC Name(hydroxy-methoxy-oxidoazaniumyl)oxymethane
SMILESCO[N+]([O-])(O)OC
InChIInChI=1S/C2H7NO4/c1-6-3(4,5)7-2/h4H,1-2H3
InChIKeyJTJHAJQAAJKCAY-UHFFFAOYSA-N
XLogP-0.19
TPSA61.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.08
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (hydroxy-methoxy-oxidoazaniumyl)oxymethane?
The IUPAC name of (hydroxy-methoxy-oxidoazaniumyl)oxymethane (CID 163691529) is (hydroxy-methoxy-oxidoazaniumyl)oxymethane.
What is the SMILES notation for (hydroxy-methoxy-oxidoazaniumyl)oxymethane?
The canonical SMILES for (hydroxy-methoxy-oxidoazaniumyl)oxymethane is CO[N+]([O-])(O)OC.
What is the InChIKey of (hydroxy-methoxy-oxidoazaniumyl)oxymethane?
The InChIKey is JTJHAJQAAJKCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO4/c1-6-3(4,5)7-2/h4H,1-2H3.
What are the key properties of (hydroxy-methoxy-oxidoazaniumyl)oxymethane?
(hydroxy-methoxy-oxidoazaniumyl)oxymethane has a molecular weight of 109.08 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (hydroxy-methoxy-oxidoazaniumyl)oxymethane is sourced from PubChem (CID 163691529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).