4-hydroxy-1-oxo-2,3-dihydroindene-5-carboxylic acid

C10H8O4 — CID 55297492

IUPAC4-hydroxy-1-oxo-2,3-dihydroindene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1O)CCC2=O
InChIInChI=1S/C10H8O4/c11-8-4-3-6-5(8)1-2-7(9(6)12)10(13)14/h1-2,12H,3-4H2,(H,13,14)
InChIKeyIDOPTJCEJMQNDW-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.22
Rot. Bonds1

About 4-hydroxy-1-oxo-2,3-dihydroindene-5-carboxylic acid

4-hydroxy-1-oxo-2,3-dihydroindene-5-carboxylic acid (PubChem CID 55297492) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is 4-hydroxy-1-oxo-2,3-dihydroindene-5-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-oxo-2,3-dihydroindene-5-carboxylic acid
PubChem CID55297492
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name4-hydroxy-1-oxo-2,3-dihydroindene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1O)CCC2=O
InChIInChI=1S/C10H8O4/c11-8-4-3-6-5(8)1-2-7(9(6)12)10(13)14/h1-2,12H,3-4H2,(H,13,14)
InChIKeyIDOPTJCEJMQNDW-UHFFFAOYSA-N
XLogP1.22
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-oxo-2,3-dihydroindene-5-carboxylic acid?
The IUPAC name of 4-hydroxy-1-oxo-2,3-dihydroindene-5-carboxylic acid (CID 55297492) is 4-hydroxy-1-oxo-2,3-dihydroindene-5-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-oxo-2,3-dihydroindene-5-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-oxo-2,3-dihydroindene-5-carboxylic acid is O=C(O)c1ccc2c(c1O)CCC2=O.
What is the InChIKey of 4-hydroxy-1-oxo-2,3-dihydroindene-5-carboxylic acid?
The InChIKey is IDOPTJCEJMQNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c11-8-4-3-6-5(8)1-2-7(9(6)12)10(13)14/h1-2,12H,3-4H2,(H,13,14).
What are the key properties of 4-hydroxy-1-oxo-2,3-dihydroindene-5-carboxylic acid?
4-hydroxy-1-oxo-2,3-dihydroindene-5-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-oxo-2,3-dihydroindene-5-carboxylic acid is sourced from PubChem (CID 55297492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).