4-(oxidoamino)benzoic acid

C7H6NO3- — CID 54746218

IUPAC4-(oxidoamino)benzoic acid
SMILESO=C(O)c1ccc(N[O-])cc1
InChIInChI=1S/C7H6NO3/c9-7(10)5-1-3-6(8-11)4-2-5/h1-4,8H,(H,9,10)/q-1
InChIKeyZJXVTABYBQSCQL-UHFFFAOYSA-N
MW152.13 g/mol
LogP1.29
Rot. Bonds2

About 4-(oxidoamino)benzoic acid

4-(oxidoamino)benzoic acid (PubChem CID 54746218) has the molecular formula C7H6NO3- and a molecular weight of 152.13 g/mol. Its IUPAC name is 4-(oxidoamino)benzoic acid.

Molecular Properties

Compound Name4-(oxidoamino)benzoic acid
PubChem CID54746218
Molecular FormulaC7H6NO3-
Molecular Weight152.13 g/mol
Exact Mass152.04
IUPAC Name4-(oxidoamino)benzoic acid
SMILESO=C(O)c1ccc(N[O-])cc1
InChIInChI=1S/C7H6NO3/c9-7(10)5-1-3-6(8-11)4-2-5/h1-4,8H,(H,9,10)/q-1
InChIKeyZJXVTABYBQSCQL-UHFFFAOYSA-N
XLogP1.29
TPSA72.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

terephthalic acid
CID 160582437
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
terephthalic acid;dihydrofluoride
CID 70485309
ethene;terephthalic acid
CID 18755810
oxophosphane;terephthalic acid
CID 175391404
potassium;terephthalic acid;hydroxide
CID 157415014
zinc;oxygen(2-);terephthalic acid
CID 68542267
silver;terephthalic acid;zinc
CID 88512761
cobalt;nickel;terephthalic acid
CID 175016500
4-hydrazinylbenzoic acid;hydron;chloride
CID 90134098
4-(methoxyamino)benzoic acid
CID 58668568

Frequently Asked Questions

What is the IUPAC name of 4-(oxidoamino)benzoic acid?
The IUPAC name of 4-(oxidoamino)benzoic acid (CID 54746218) is 4-(oxidoamino)benzoic acid.
What is the SMILES notation for 4-(oxidoamino)benzoic acid?
The canonical SMILES for 4-(oxidoamino)benzoic acid is O=C(O)c1ccc(N[O-])cc1.
What is the InChIKey of 4-(oxidoamino)benzoic acid?
The InChIKey is ZJXVTABYBQSCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6NO3/c9-7(10)5-1-3-6(8-11)4-2-5/h1-4,8H,(H,9,10)/q-1.
What are the key properties of 4-(oxidoamino)benzoic acid?
4-(oxidoamino)benzoic acid has a molecular weight of 152.13 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxidoamino)benzoic acid is sourced from PubChem (CID 54746218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).