azanium 2-carboxyphenolate

C7H9NO3 — CID 54697583

IUPACazanium 2-carboxyphenolate
SMILESO=C(O)c1ccccc1[O-].[NH4+]
InChIInChI=1S/C7H6O3.H3N/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);1H3
InChIKeyBOFZOTMTKBQRAB-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.83
Rot. Bonds1

About azanium 2-carboxyphenolate

azanium 2-carboxyphenolate (PubChem CID 54697583) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is azanium 2-carboxyphenolate.

Molecular Properties

Compound Nameazanium 2-carboxyphenolate
PubChem CID54697583
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Nameazanium 2-carboxyphenolate
SMILESO=C(O)c1ccccc1[O-].[NH4+]
InChIInChI=1S/C7H6O3.H3N/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);1H3
InChIKeyBOFZOTMTKBQRAB-UHFFFAOYSA-N
XLogP0.83
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azanium 2-carboxyphenolate?
The IUPAC name of azanium 2-carboxyphenolate (CID 54697583) is azanium 2-carboxyphenolate.
What is the SMILES notation for azanium 2-carboxyphenolate?
The canonical SMILES for azanium 2-carboxyphenolate is O=C(O)c1ccccc1[O-].[NH4+].
What is the InChIKey of azanium 2-carboxyphenolate?
The InChIKey is BOFZOTMTKBQRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.H3N/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);1H3.
What are the key properties of azanium 2-carboxyphenolate?
azanium 2-carboxyphenolate has a molecular weight of 155.15 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2-carboxyphenolate is sourced from PubChem (CID 54697583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).