3-(furan-3-yl)furan;nitric acid

C8H7NO5 — CID 175941558

IUPAC3-(furan-3-yl)furan;nitric acid
SMILESO=[N+]([O-])O.c1cc(-c2ccoc2)co1
InChIInChI=1S/C8H6O2.HNO3/c1-3-9-5-7(1)8-2-4-10-6-8;2-1(3)4/h1-6H;(H,2,3,4)
InChIKeyKBZYAVVJGYUIHM-UHFFFAOYSA-N
MW197.15 g/mol
LogP2.19
Rot. Bonds1

About 3-(furan-3-yl)furan;nitric acid

3-(furan-3-yl)furan;nitric acid (PubChem CID 175941558) has the molecular formula C8H7NO5 and a molecular weight of 197.15 g/mol. Its IUPAC name is 3-(furan-3-yl)furan;nitric acid.

Molecular Properties

Compound Name3-(furan-3-yl)furan;nitric acid
PubChem CID175941558
Molecular FormulaC8H7NO5
Molecular Weight197.15 g/mol
Exact Mass197.03
IUPAC Name3-(furan-3-yl)furan;nitric acid
SMILESO=[N+]([O-])O.c1cc(-c2ccoc2)co1
InChIInChI=1S/C8H6O2.HNO3/c1-3-9-5-7(1)8-2-4-10-6-8;2-1(3)4/h1-6H;(H,2,3,4)
InChIKeyKBZYAVVJGYUIHM-UHFFFAOYSA-N
XLogP2.19
TPSA89.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-3-yl)phenol
CID 22723440
3-(furan-3-yl)-2-methyl-5-nitropyridine
CID 165009700
3-(3,5-dichlorophenyl)furan
CID 76539737
2-[[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-nitrophenol
CID 1467951
ethyl 4-(furan-3-yl)benzoate
CID 86071197
3-(2-nitrobut-1-enyl)furan
CID 76987046
4-amino-2-(furan-3-yl)phenol
CID 15553238
CID 173119623
CID 173119623
nitric acid;tellane
CID 173450640
alumane;tris(nitric acid)
CID 173196891
hafnium;tetrakis(nitric acid)
CID 5207132
CID 173119618
CID 173119618

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)furan;nitric acid?
The IUPAC name of 3-(furan-3-yl)furan;nitric acid (CID 175941558) is 3-(furan-3-yl)furan;nitric acid.
What is the SMILES notation for 3-(furan-3-yl)furan;nitric acid?
The canonical SMILES for 3-(furan-3-yl)furan;nitric acid is O=[N+]([O-])O.c1cc(-c2ccoc2)co1.
What is the InChIKey of 3-(furan-3-yl)furan;nitric acid?
The InChIKey is KBZYAVVJGYUIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2.HNO3/c1-3-9-5-7(1)8-2-4-10-6-8;2-1(3)4/h1-6H;(H,2,3,4).
What are the key properties of 3-(furan-3-yl)furan;nitric acid?
3-(furan-3-yl)furan;nitric acid has a molecular weight of 197.15 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)furan;nitric acid is sourced from PubChem (CID 175941558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).