azanium 2-carboxy-4-hydroxyphenolate

C7H9NO4 — CID 54715378

IUPACazanium 2-carboxy-4-hydroxyphenolate
SMILESO=C(O)c1cc(O)ccc1[O-].[NH4+]
InChIInChI=1S/C7H6O4.H3N/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,8-9H,(H,10,11);1H3
InChIKeyMASQIRNXHXXWPK-UHFFFAOYSA-N
MW171.15 g/mol
LogP0.54
Rot. Bonds1

About azanium 2-carboxy-4-hydroxyphenolate

azanium 2-carboxy-4-hydroxyphenolate (PubChem CID 54715378) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is azanium 2-carboxy-4-hydroxyphenolate.

Molecular Properties

Compound Nameazanium 2-carboxy-4-hydroxyphenolate
PubChem CID54715378
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Nameazanium 2-carboxy-4-hydroxyphenolate
SMILESO=C(O)c1cc(O)ccc1[O-].[NH4+]
InChIInChI=1S/C7H6O4.H3N/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,8-9H,(H,10,11);1H3
InChIKeyMASQIRNXHXXWPK-UHFFFAOYSA-N
XLogP0.54
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 54715072
CID 54715072
4-hydroxyphthalic acid;hydrate
CID 171991193
sodium 2,4-dicarboxyphenolate
CID 159837316
2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
2-carboxy-4-[(4-hydroxyphenyl)sulfamoyl]phenolate
CID 54677693
bismuth tris(2-carboxy-4-chlorophenolate)
CID 54734267
strontium;2,5-dihydroxybenzoic acid;hydride
CID 173389066
5-hydroxy-2-sulfanylbenzoic acid
CID 22056787
2,5-dihydroxybenzoic acid;methanol
CID 174970806
CID 171375610
CID 171375610
cadmium(2+);2-carboxy-4-hydroxyphenolate;2,5-dihydroxybenzoate;bis(1,10-phenanthroline);dihydrate
CID 139074915
triazanium;tris(2-carboxyphenolate)
CID 172802459

Frequently Asked Questions

What is the IUPAC name of azanium 2-carboxy-4-hydroxyphenolate?
The IUPAC name of azanium 2-carboxy-4-hydroxyphenolate (CID 54715378) is azanium 2-carboxy-4-hydroxyphenolate.
What is the SMILES notation for azanium 2-carboxy-4-hydroxyphenolate?
The canonical SMILES for azanium 2-carboxy-4-hydroxyphenolate is O=C(O)c1cc(O)ccc1[O-].[NH4+].
What is the InChIKey of azanium 2-carboxy-4-hydroxyphenolate?
The InChIKey is MASQIRNXHXXWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O4.H3N/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,8-9H,(H,10,11);1H3.
What are the key properties of azanium 2-carboxy-4-hydroxyphenolate?
azanium 2-carboxy-4-hydroxyphenolate has a molecular weight of 171.15 g/mol, XLogP of 0.54, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2-carboxy-4-hydroxyphenolate is sourced from PubChem (CID 54715378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).