3-diazonio-5-hydroxy-4-oxochromen-2-olate

C9H4N2O4 — CID 19692139

IUPAC3-diazonio-5-hydroxy-4-oxochromen-2-olate
SMILESN#[N+]c1c([O-])oc2cccc(O)c2c1=O
InChIInChI=1S/C9H4N2O4/c10-11-7-8(13)6-4(12)2-1-3-5(6)15-9(7)14/h1-3H,(H-,12,13,14)
InChIKeyRVPVIEHTZRLJPL-UHFFFAOYSA-N
MW204.14 g/mol
LogP1.06
Rot. Bonds

About 3-diazonio-5-hydroxy-4-oxochromen-2-olate

3-diazonio-5-hydroxy-4-oxochromen-2-olate (PubChem CID 19692139) has the molecular formula C9H4N2O4 and a molecular weight of 204.14 g/mol. Its IUPAC name is 3-diazonio-5-hydroxy-4-oxochromen-2-olate.

Molecular Properties

Compound Name3-diazonio-5-hydroxy-4-oxochromen-2-olate
PubChem CID19692139
Molecular FormulaC9H4N2O4
Molecular Weight204.14 g/mol
Exact Mass204.02
IUPAC Name3-diazonio-5-hydroxy-4-oxochromen-2-olate
SMILESN#[N+]c1c([O-])oc2cccc(O)c2c1=O
InChIInChI=1S/C9H4N2O4/c10-11-7-8(13)6-4(12)2-1-3-5(6)15-9(7)14/h1-3H,(H-,12,13,14)
InChIKeyRVPVIEHTZRLJPL-UHFFFAOYSA-N
XLogP1.06
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.14
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-diazonio-5-hydroxy-4-oxochromen-2-olate?
The IUPAC name of 3-diazonio-5-hydroxy-4-oxochromen-2-olate (CID 19692139) is 3-diazonio-5-hydroxy-4-oxochromen-2-olate.
What is the SMILES notation for 3-diazonio-5-hydroxy-4-oxochromen-2-olate?
The canonical SMILES for 3-diazonio-5-hydroxy-4-oxochromen-2-olate is N#[N+]c1c([O-])oc2cccc(O)c2c1=O.
What is the InChIKey of 3-diazonio-5-hydroxy-4-oxochromen-2-olate?
The InChIKey is RVPVIEHTZRLJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4N2O4/c10-11-7-8(13)6-4(12)2-1-3-5(6)15-9(7)14/h1-3H,(H-,12,13,14).
What are the key properties of 3-diazonio-5-hydroxy-4-oxochromen-2-olate?
3-diazonio-5-hydroxy-4-oxochromen-2-olate has a molecular weight of 204.14 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazonio-5-hydroxy-4-oxochromen-2-olate is sourced from PubChem (CID 19692139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).