9-oxo-10H-anthracen-10-ylium-1-olate

C14H8O2 — CID 102189544

IUPAC9-oxo-10H-anthracen-10-ylium-1-olate
SMILESO=C1c2ccccc2[CH+]c2cccc([O-])c21
InChIInChI=1S/C14H8O2/c15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(16)13(10)12/h1-8H
InChIKeyVCOQGGQWAMPXDL-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.91
Rot. Bonds

About 9-oxo-10H-anthracen-10-ylium-1-olate

9-oxo-10H-anthracen-10-ylium-1-olate (PubChem CID 102189544) has the molecular formula C14H8O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 9-oxo-10H-anthracen-10-ylium-1-olate.

Molecular Properties

Compound Name9-oxo-10H-anthracen-10-ylium-1-olate
PubChem CID102189544
Molecular FormulaC14H8O2
Molecular Weight208.22 g/mol
Exact Mass208.05
IUPAC Name9-oxo-10H-anthracen-10-ylium-1-olate
SMILESO=C1c2ccccc2[CH+]c2cccc([O-])c21
InChIInChI=1S/C14H8O2/c15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(16)13(10)12/h1-8H
InChIKeyVCOQGGQWAMPXDL-UHFFFAOYSA-N
XLogP1.91
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,10-dioxoanthracene-1,8-diolate;hexakis(propan-2-olate);bis(titanium(4+))
CID 102375541
10H-anthracen-10-ylium-9-ylidenemethanone
CID 100955933
6,11-dioxotetracene-5,12-diolate
CID 102258482
CID 67824005
CID 67824005
dilithium;benzene-1,2-diolate
CID 12557529
N,N-dimethylformamide;tris(9,10-dioxoanthracene-1,8-diolate);bis(iron(3+));hydrate
CID 139202102
lithium;anthracene-9,10-dione;hydride
CID 174683199
CID 66807709
CID 66807709
anthracene-9,10-dione;hydrofluoride
CID 172728823
phenanthrene-9,10-dione
CID 6763
anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797
9-oxofluorene-1-carboxylate
CID 6928439

Frequently Asked Questions

What is the IUPAC name of 9-oxo-10H-anthracen-10-ylium-1-olate?
The IUPAC name of 9-oxo-10H-anthracen-10-ylium-1-olate (CID 102189544) is 9-oxo-10H-anthracen-10-ylium-1-olate.
What is the SMILES notation for 9-oxo-10H-anthracen-10-ylium-1-olate?
The canonical SMILES for 9-oxo-10H-anthracen-10-ylium-1-olate is O=C1c2ccccc2[CH+]c2cccc([O-])c21.
What is the InChIKey of 9-oxo-10H-anthracen-10-ylium-1-olate?
The InChIKey is VCOQGGQWAMPXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2/c15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(16)13(10)12/h1-8H.
What are the key properties of 9-oxo-10H-anthracen-10-ylium-1-olate?
9-oxo-10H-anthracen-10-ylium-1-olate has a molecular weight of 208.22 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-10H-anthracen-10-ylium-1-olate is sourced from PubChem (CID 102189544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).