5-(3-nitrosophenyl)furan-2-carboxylic acid

C11H7NO4 — CID 144711483

IUPAC5-(3-nitrosophenyl)furan-2-carboxylic acid
SMILESO=Nc1cccc(-c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C11H7NO4/c13-11(14)10-5-4-9(16-10)7-2-1-3-8(6-7)12-15/h1-6H,(H,13,14)
InChIKeyMPXLIIQCPGUUSZ-UHFFFAOYSA-N
MW217.18 g/mol
LogP3.04
Rot. Bonds3

About 5-(3-nitrosophenyl)furan-2-carboxylic acid

5-(3-nitrosophenyl)furan-2-carboxylic acid (PubChem CID 144711483) has the molecular formula C11H7NO4 and a molecular weight of 217.18 g/mol. Its IUPAC name is 5-(3-nitrosophenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-nitrosophenyl)furan-2-carboxylic acid
PubChem CID144711483
Molecular FormulaC11H7NO4
Molecular Weight217.18 g/mol
Exact Mass217.04
IUPAC Name5-(3-nitrosophenyl)furan-2-carboxylic acid
SMILESO=Nc1cccc(-c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C11H7NO4/c13-11(14)10-5-4-9(16-10)7-2-1-3-8(6-7)12-15/h1-6H,(H,13,14)
InChIKeyMPXLIIQCPGUUSZ-UHFFFAOYSA-N
XLogP3.04
TPSA79.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-nitrosophenyl)furan-2-carboxylic acid?
The IUPAC name of 5-(3-nitrosophenyl)furan-2-carboxylic acid (CID 144711483) is 5-(3-nitrosophenyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(3-nitrosophenyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(3-nitrosophenyl)furan-2-carboxylic acid is O=Nc1cccc(-c2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-(3-nitrosophenyl)furan-2-carboxylic acid?
The InChIKey is MPXLIIQCPGUUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO4/c13-11(14)10-5-4-9(16-10)7-2-1-3-8(6-7)12-15/h1-6H,(H,13,14).
What are the key properties of 5-(3-nitrosophenyl)furan-2-carboxylic acid?
5-(3-nitrosophenyl)furan-2-carboxylic acid has a molecular weight of 217.18 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-nitrosophenyl)furan-2-carboxylic acid is sourced from PubChem (CID 144711483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).