ethanol;nitric acid

C2H7NO4 — CID 22251424

IUPACethanol;nitric acid
SMILESCCO.O=[N+]([O-])O
InChIInChI=1S/C2H6O.HNO3/c1-2-3;2-1(3)4/h3H,2H2,1H3;(H,2,3,4)
InChIKeyHQFCOGRKGVGYBB-UHFFFAOYSA-N
MW109.08 g/mol
LogP-0.35
Rot. Bonds

About ethanol;nitric acid

ethanol;nitric acid (PubChem CID 22251424) has the molecular formula C2H7NO4 and a molecular weight of 109.08 g/mol. Its IUPAC name is ethanol;nitric acid.

Molecular Properties

Compound Nameethanol;nitric acid
PubChem CID22251424
Molecular FormulaC2H7NO4
Molecular Weight109.08 g/mol
Exact Mass109.04
IUPAC Nameethanol;nitric acid
SMILESCCO.O=[N+]([O-])O
InChIInChI=1S/C2H6O.HNO3/c1-2-3;2-1(3)4/h3H,2H2,1H3;(H,2,3,4)
InChIKeyHQFCOGRKGVGYBB-UHFFFAOYSA-N
XLogP-0.35
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.08
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 ethanol;nitric acid?
The IUPAC name of ethanol;nitric acid (CID 22251424) is ethanol;nitric acid.
What is the SMILES notation for ethanol;nitric acid?
The canonical SMILES for ethanol;nitric acid is CCO.O=[N+]([O-])O.
What is the InChIKey of ethanol;nitric acid?
The InChIKey is HQFCOGRKGVGYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.HNO3/c1-2-3;2-1(3)4/h3H,2H2,1H3;(H,2,3,4).
What are the key properties of ethanol;nitric acid?
ethanol;nitric acid has a molecular weight of 109.08 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;nitric acid is sourced from PubChem (CID 22251424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).