CID 173010732

H2N2O4 — CID 173010732

IUPAC—
SMILESO=N[N+]([O-])(O)O
InChIInChI=1S/H2N2O4/c3-1-2(4,5)6/h4-5H
InChIKeyKOAUQYPGYPWUIU-UHFFFAOYSA-N
MW94.03 g/mol
LogP-0.24
Rot. Bonds1

About CID 173010732

CID 173010732 (PubChem CID 173010732) has the molecular formula H2N2O4 and a molecular weight of 94.03 g/mol.

Molecular Properties

Compound NameCID 173010732
PubChem CID173010732
Molecular FormulaH2N2O4
Molecular Weight94.03 g/mol
Exact Mass94.00
IUPAC Name—
SMILESO=N[N+]([O-])(O)O
InChIInChI=1S/H2N2O4/c3-1-2(4,5)6/h4-5H
InChIKeyKOAUQYPGYPWUIU-UHFFFAOYSA-N
XLogP-0.24
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.03
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'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 CID 173010732?
The IUPAC name of CID 173010732 (CID 173010732) is not available.
What is the SMILES notation for CID 173010732?
The canonical SMILES for CID 173010732 is O=N[N+]([O-])(O)O.
What is the InChIKey of CID 173010732?
The InChIKey is KOAUQYPGYPWUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/H2N2O4/c3-1-2(4,5)6/h4-5H.
What are the key properties of CID 173010732?
CID 173010732 has a molecular weight of 94.03 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173010732 is sourced from PubChem (CID 173010732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).