6,7-dihydroxy-1-oxoindene-4-carboxylic acid

C10H6O5 — CID 56845554

IUPAC6,7-dihydroxy-1-oxoindene-4-carboxylic acid
SMILESO=C(O)c1cc(O)c(O)c2c1C=CC2=O
InChIInChI=1S/C10H6O5/c11-6-2-1-4-5(10(14)15)3-7(12)9(13)8(4)6/h1-3,12-13H,(H,14,15)
InChIKeySXBPGRIZLVJKFJ-UHFFFAOYSA-N
MW206.15 g/mol
LogP1.01
Rot. Bonds1

About 6,7-dihydroxy-1-oxoindene-4-carboxylic acid

6,7-dihydroxy-1-oxoindene-4-carboxylic acid (PubChem CID 56845554) has the molecular formula C10H6O5 and a molecular weight of 206.15 g/mol. Its IUPAC name is 6,7-dihydroxy-1-oxoindene-4-carboxylic acid.

Molecular Properties

Compound Name6,7-dihydroxy-1-oxoindene-4-carboxylic acid
PubChem CID56845554
Molecular FormulaC10H6O5
Molecular Weight206.15 g/mol
Exact Mass206.02
IUPAC Name6,7-dihydroxy-1-oxoindene-4-carboxylic acid
SMILESO=C(O)c1cc(O)c(O)c2c1C=CC2=O
InChIInChI=1S/C10H6O5/c11-6-2-1-4-5(10(14)15)3-7(12)9(13)8(4)6/h1-3,12-13H,(H,14,15)
InChIKeySXBPGRIZLVJKFJ-UHFFFAOYSA-N
XLogP1.01
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydroxy-1-oxoindene-4-carboxylic acid?
The IUPAC name of 6,7-dihydroxy-1-oxoindene-4-carboxylic acid (CID 56845554) is 6,7-dihydroxy-1-oxoindene-4-carboxylic acid.
What is the SMILES notation for 6,7-dihydroxy-1-oxoindene-4-carboxylic acid?
The canonical SMILES for 6,7-dihydroxy-1-oxoindene-4-carboxylic acid is O=C(O)c1cc(O)c(O)c2c1C=CC2=O.
What is the InChIKey of 6,7-dihydroxy-1-oxoindene-4-carboxylic acid?
The InChIKey is SXBPGRIZLVJKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O5/c11-6-2-1-4-5(10(14)15)3-7(12)9(13)8(4)6/h1-3,12-13H,(H,14,15).
What are the key properties of 6,7-dihydroxy-1-oxoindene-4-carboxylic acid?
6,7-dihydroxy-1-oxoindene-4-carboxylic acid has a molecular weight of 206.15 g/mol, XLogP of 1.01, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydroxy-1-oxoindene-4-carboxylic acid is sourced from PubChem (CID 56845554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).