6-hydroxy-1,5-dioxo-3H-cyclohepta[c]furan-8-olate

C9H5O5- — CID 102515496

IUPAC6-hydroxy-1,5-dioxo-3H-cyclohepta[c]furan-8-olate
SMILESO=C1OCc2cc(=O)c(O)cc([O-])c21
InChIInChI=1S/C9H6O5/c10-5-1-4-3-14-9(13)8(4)7(12)2-6(5)11/h1-2,12H,3H2,(H,10,11)/p-1
InChIKeyFZWZZYUAWYMFBS-UHFFFAOYSA-M
MW193.13 g/mol
LogP-0.50
Rot. Bonds

About 6-hydroxy-1,5-dioxo-3H-cyclohepta[c]furan-8-olate

6-hydroxy-1,5-dioxo-3H-cyclohepta[c]furan-8-olate (PubChem CID 102515496) has the molecular formula C9H5O5- and a molecular weight of 193.13 g/mol. Its IUPAC name is 6-hydroxy-1,5-dioxo-3H-cyclohepta[c]furan-8-olate.

Molecular Properties

Compound Name6-hydroxy-1,5-dioxo-3H-cyclohepta[c]furan-8-olate
PubChem CID102515496
Molecular FormulaC9H5O5-
Molecular Weight193.13 g/mol
Exact Mass193.01
IUPAC Name6-hydroxy-1,5-dioxo-3H-cyclohepta[c]furan-8-olate
SMILESO=C1OCc2cc(=O)c(O)cc([O-])c21
InChIInChI=1S/C9H6O5/c10-5-1-4-3-14-9(13)8(4)7(12)2-6(5)11/h1-2,12H,3H2,(H,10,11)/p-1
InChIKeyFZWZZYUAWYMFBS-UHFFFAOYSA-M
XLogP-0.50
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,5-dioxo-3H-cyclohepta[c]furan-8-olate?
The IUPAC name of 6-hydroxy-1,5-dioxo-3H-cyclohepta[c]furan-8-olate (CID 102515496) is 6-hydroxy-1,5-dioxo-3H-cyclohepta[c]furan-8-olate.
What is the SMILES notation for 6-hydroxy-1,5-dioxo-3H-cyclohepta[c]furan-8-olate?
The canonical SMILES for 6-hydroxy-1,5-dioxo-3H-cyclohepta[c]furan-8-olate is O=C1OCc2cc(=O)c(O)cc([O-])c21.
What is the InChIKey of 6-hydroxy-1,5-dioxo-3H-cyclohepta[c]furan-8-olate?
The InChIKey is FZWZZYUAWYMFBS-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H6O5/c10-5-1-4-3-14-9(13)8(4)7(12)2-6(5)11/h1-2,12H,3H2,(H,10,11)/p-1.
What are the key properties of 6-hydroxy-1,5-dioxo-3H-cyclohepta[c]furan-8-olate?
6-hydroxy-1,5-dioxo-3H-cyclohepta[c]furan-8-olate has a molecular weight of 193.13 g/mol, XLogP of -0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,5-dioxo-3H-cyclohepta[c]furan-8-olate is sourced from PubChem (CID 102515496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).