azanium;formaldehyde;phenoxide

C7H11NO2 — CID 6453182

IUPACazanium;formaldehyde;phenoxide
SMILESC=O.[NH4+].[O-]c1ccccc1
InChIInChI=1S/C6H6O.CH2O.H3N/c7-6-4-2-1-3-5-6;1-2;/h1-5,7H;1H2;1H3
InChIKeyDTCDQFXKTVPDBK-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.95
Rot. Bonds

About azanium;formaldehyde;phenoxide

azanium;formaldehyde;phenoxide (PubChem CID 6453182) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is azanium;formaldehyde;phenoxide.

Molecular Properties

Compound Nameazanium;formaldehyde;phenoxide
PubChem CID6453182
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Nameazanium;formaldehyde;phenoxide
SMILESC=O.[NH4+].[O-]c1ccccc1
InChIInChI=1S/C6H6O.CH2O.H3N/c7-6-4-2-1-3-5-6;1-2;/h1-5,7H;1H2;1H3
InChIKeyDTCDQFXKTVPDBK-UHFFFAOYSA-N
XLogP0.95
TPSA76.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azanium;formaldehyde;phenoxide?
The IUPAC name of azanium;formaldehyde;phenoxide (CID 6453182) is azanium;formaldehyde;phenoxide.
What is the SMILES notation for azanium;formaldehyde;phenoxide?
The canonical SMILES for azanium;formaldehyde;phenoxide is C=O.[NH4+].[O-]c1ccccc1.
What is the InChIKey of azanium;formaldehyde;phenoxide?
The InChIKey is DTCDQFXKTVPDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.CH2O.H3N/c7-6-4-2-1-3-5-6;1-2;/h1-5,7H;1H2;1H3.
What are the key properties of azanium;formaldehyde;phenoxide?
azanium;formaldehyde;phenoxide has a molecular weight of 141.17 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;formaldehyde;phenoxide is sourced from PubChem (CID 6453182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).