5-nitroso-1-benzofuran-2-carboxylic acid

C9H5NO4 — CID 88894319

IUPAC5-nitroso-1-benzofuran-2-carboxylic acid
SMILESO=Nc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C9H5NO4/c11-9(12)8-4-5-3-6(10-13)1-2-7(5)14-8/h1-4H,(H,11,12)
InChIKeyQDNLHWUSPUAGRA-UHFFFAOYSA-N
MW191.14 g/mol
LogP2.53
Rot. Bonds2

About 5-nitroso-1-benzofuran-2-carboxylic acid

5-nitroso-1-benzofuran-2-carboxylic acid (PubChem CID 88894319) has the molecular formula C9H5NO4 and a molecular weight of 191.14 g/mol. Its IUPAC name is 5-nitroso-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-nitroso-1-benzofuran-2-carboxylic acid
PubChem CID88894319
Molecular FormulaC9H5NO4
Molecular Weight191.14 g/mol
Exact Mass191.02
IUPAC Name5-nitroso-1-benzofuran-2-carboxylic acid
SMILESO=Nc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C9H5NO4/c11-9(12)8-4-5-3-6(10-13)1-2-7(5)14-8/h1-4H,(H,11,12)
InChIKeyQDNLHWUSPUAGRA-UHFFFAOYSA-N
XLogP2.53
TPSA79.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 89093866
CID 89093866
SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE
CID 126957561
5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid
CID 71013533
benzo[f][1]benzofuran-2-carboxylic acid
CID 21450579
5,6-dihydroxy-1-benzofuran-2-carboxylic acid
CID 19021389
5-(3-amino-1,2-dihydroxy-3-oxopropyl)-1-benzofuran-2-carboxylic acid
CID 171868975
5-(butoxymethyl)-1-benzofuran-2-carboxylic acid
CID 65293465
5-pyridin-3-yloxy-1-benzofuran-2-carboxylic acid
CID 13343422
5-[(2-methylpropan-2-yl)oxycarbonyl]-1-benzofuran-2-carboxylic acid
CID 13364056
5-(propan-2-ylsulfonylmethyl)-1-benzofuran-2-carboxylic acid
CID 65293801
5-(2-oxopropoxy)-1-benzofuran-2-carboxylic acid
CID 169229514
5-butoxy-1-benzofuran-2-carboxylic acid
CID 67998736

Frequently Asked Questions

What is the IUPAC name of 5-nitroso-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-nitroso-1-benzofuran-2-carboxylic acid (CID 88894319) is 5-nitroso-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-nitroso-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-nitroso-1-benzofuran-2-carboxylic acid is O=Nc1ccc2oc(C(=O)O)cc2c1.
What is the InChIKey of 5-nitroso-1-benzofuran-2-carboxylic acid?
The InChIKey is QDNLHWUSPUAGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO4/c11-9(12)8-4-5-3-6(10-13)1-2-7(5)14-8/h1-4H,(H,11,12).
What are the key properties of 5-nitroso-1-benzofuran-2-carboxylic acid?
5-nitroso-1-benzofuran-2-carboxylic acid has a molecular weight of 191.14 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroso-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 88894319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).