2-carboxy-N-hydroxybenzeneamine oxide

C7H7NO4 — CID 87433862

IUPAC2-carboxy-N-hydroxybenzeneamine oxide
SMILESO=C(O)c1ccccc1[NH+]([O-])O
InChIInChI=1S/C7H7NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,8,11H,(H,9,10)
InChIKeyJPZSBVCFDBYKLA-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.21
Rot. Bonds2

About 2-carboxy-N-hydroxybenzeneamine oxide

2-carboxy-N-hydroxybenzeneamine oxide (PubChem CID 87433862) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is 2-carboxy-N-hydroxybenzeneamine oxide.

Molecular Properties

Compound Name2-carboxy-N-hydroxybenzeneamine oxide
PubChem CID87433862
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name2-carboxy-N-hydroxybenzeneamine oxide
SMILESO=C(O)c1ccccc1[NH+]([O-])O
InChIInChI=1S/C7H7NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,8,11H,(H,9,10)
InChIKeyJPZSBVCFDBYKLA-UHFFFAOYSA-N
XLogP-0.21
TPSA85.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-carboxybenzoyl)-N-hydroxy-2-methylbenzeneamine oxide
CID 163167282
hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184
phthalic acid;hydrobromide
CID 71236392
bis(oxygen(2-));phthalic acid;titanium(4+)
CID 161084506
barium(2+);hydride;phthalic acid
CID 173000011
hydride;phthalic acid;rubidium(1+)
CID 173256629
magnesium;hydride;phthalic acid
CID 173000994
magnesium;phthalic acid;dichloride
CID 22501626
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
dilithium;hydride;phthalic acid
CID 173011412
formaldehyde;phthalic acid
CID 174659618

Frequently Asked Questions

What is the IUPAC name of 2-carboxy-N-hydroxybenzeneamine oxide?
The IUPAC name of 2-carboxy-N-hydroxybenzeneamine oxide (CID 87433862) is 2-carboxy-N-hydroxybenzeneamine oxide.
What is the SMILES notation for 2-carboxy-N-hydroxybenzeneamine oxide?
The canonical SMILES for 2-carboxy-N-hydroxybenzeneamine oxide is O=C(O)c1ccccc1[NH+]([O-])O.
What is the InChIKey of 2-carboxy-N-hydroxybenzeneamine oxide?
The InChIKey is JPZSBVCFDBYKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,8,11H,(H,9,10).
What are the key properties of 2-carboxy-N-hydroxybenzeneamine oxide?
2-carboxy-N-hydroxybenzeneamine oxide has a molecular weight of 169.14 g/mol, XLogP of -0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxy-N-hydroxybenzeneamine oxide is sourced from PubChem (CID 87433862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).