3-(hydroxyamino)-2-nitrosobenzoic acid

C7H6N2O4 — CID 91620937

IUPAC3-(hydroxyamino)-2-nitrosobenzoic acid
SMILESO=Nc1c(NO)cccc1C(=O)O
InChIInChI=1S/C7H6N2O4/c10-7(11)4-2-1-3-5(8-12)6(4)9-13/h1-3,8,12H,(H,10,11)
InChIKeyODDSZGRRLLMMRV-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.58
Rot. Bonds3

About 3-(hydroxyamino)-2-nitrosobenzoic acid

3-(hydroxyamino)-2-nitrosobenzoic acid (PubChem CID 91620937) has the molecular formula C7H6N2O4 and a molecular weight of 182.14 g/mol. Its IUPAC name is 3-(hydroxyamino)-2-nitrosobenzoic acid.

Molecular Properties

Compound Name3-(hydroxyamino)-2-nitrosobenzoic acid
PubChem CID91620937
Molecular FormulaC7H6N2O4
Molecular Weight182.14 g/mol
Exact Mass182.03
IUPAC Name3-(hydroxyamino)-2-nitrosobenzoic acid
SMILESO=Nc1c(NO)cccc1C(=O)O
InChIInChI=1S/C7H6N2O4/c10-7(11)4-2-1-3-5(8-12)6(4)9-13/h1-3,8,12H,(H,10,11)
InChIKeyODDSZGRRLLMMRV-UHFFFAOYSA-N
XLogP1.58
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 66717184
CID 66717184
acetic acid;N-(2-nitrosophenyl)hydroxylamine
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8-acetamidonaphthalene-1-carboxylic acid
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benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
3-fluoro-2-(hydroxyamino)benzoic acid
CID 82863522
N-(2-nitrosophenyl)hydroxylamine;zinc
CID 87066899
2-[2-(2,3-dimethylphenyl)hydrazinyl]benzoic acid
CID 163528026
2-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylic acid
CID 174908564
2-[3-(2-carboxyanilino)anilino]benzoic acid
CID 21179580
3-methyl-2-nitrosobenzamide
CID 88560942
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
ethane;2-fluoro-3-methylbenzoic acid
CID 145191844

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxyamino)-2-nitrosobenzoic acid?
The IUPAC name of 3-(hydroxyamino)-2-nitrosobenzoic acid (CID 91620937) is 3-(hydroxyamino)-2-nitrosobenzoic acid.
What is the SMILES notation for 3-(hydroxyamino)-2-nitrosobenzoic acid?
The canonical SMILES for 3-(hydroxyamino)-2-nitrosobenzoic acid is O=Nc1c(NO)cccc1C(=O)O.
What is the InChIKey of 3-(hydroxyamino)-2-nitrosobenzoic acid?
The InChIKey is ODDSZGRRLLMMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O4/c10-7(11)4-2-1-3-5(8-12)6(4)9-13/h1-3,8,12H,(H,10,11).
What are the key properties of 3-(hydroxyamino)-2-nitrosobenzoic acid?
3-(hydroxyamino)-2-nitrosobenzoic acid has a molecular weight of 182.14 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxyamino)-2-nitrosobenzoic acid is sourced from PubChem (CID 91620937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).