6-hydroxy-1-oxo-3-phenyl-1H-indene-2-carboxylic acid

HCID 68698982

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)C1=C(c2ccccc2)c2ccc(O)cc2C1=O
InChIKey: UCBCUCPVOLLPJB-UHFFFAOYSA-N
Molecular formula: C16H10O4
Average molar mass: 266.25 g/mol

Names & identifiers

Preferred name: 6-hydroxy-1-oxo-3-phenyl-1H-indene-2-carboxylic acid
IUPAC: 5-hydroxy-3-oxo-1-phenylindene-2-carboxylic acid

Names & synonyms

SCHEMBL3575957UCBCUCPVOLLPJB-UHFFFAOYSA-N6-hydroxy-1-oxo-3-phenyl-1H-indene-2-carboxylic acid

Database identifiers

PubChem CID: 68698982

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 74.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 459

Related reactions

4 records

New reaction record

HRID 19554 reaction equation

HRID 19554As productuspto-grants-2010_06

HRID 19555 reaction equation

HRID 19555As reactantuspto-grants-2010_06

HRID 285702 reaction equation

HRID 285702As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 690996 reaction equation

HRID 690996As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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