7-hydroxy-8-oxo-6,7-dihydro-5H-naphthalene-1-carboxylic acid

C11H10O4 — CID 12676397

IUPAC7-hydroxy-8-oxo-6,7-dihydro-5H-naphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2c1C(=O)C(O)CC2
InChIInChI=1S/C11H10O4/c12-8-5-4-6-2-1-3-7(11(14)15)9(6)10(8)13/h1-3,8,12H,4-5H2,(H,14,15)
InChIKeyHZCQFWRLZYIFOB-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.87
Rot. Bonds1

About 7-hydroxy-8-oxo-6,7-dihydro-5H-naphthalene-1-carboxylic acid

7-hydroxy-8-oxo-6,7-dihydro-5H-naphthalene-1-carboxylic acid (PubChem CID 12676397) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 7-hydroxy-8-oxo-6,7-dihydro-5H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-8-oxo-6,7-dihydro-5H-naphthalene-1-carboxylic acid
PubChem CID12676397
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name7-hydroxy-8-oxo-6,7-dihydro-5H-naphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2c1C(=O)C(O)CC2
InChIInChI=1S/C11H10O4/c12-8-5-4-6-2-1-3-7(11(14)15)9(6)10(8)13/h1-3,8,12H,4-5H2,(H,14,15)
InChIKeyHZCQFWRLZYIFOB-UHFFFAOYSA-N
XLogP0.87
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-oxo-6,7-dihydro-5H-naphthalene-1-carboxylic acid?
The IUPAC name of 7-hydroxy-8-oxo-6,7-dihydro-5H-naphthalene-1-carboxylic acid (CID 12676397) is 7-hydroxy-8-oxo-6,7-dihydro-5H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 7-hydroxy-8-oxo-6,7-dihydro-5H-naphthalene-1-carboxylic acid?
The canonical SMILES for 7-hydroxy-8-oxo-6,7-dihydro-5H-naphthalene-1-carboxylic acid is O=C(O)c1cccc2c1C(=O)C(O)CC2.
What is the InChIKey of 7-hydroxy-8-oxo-6,7-dihydro-5H-naphthalene-1-carboxylic acid?
The InChIKey is HZCQFWRLZYIFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c12-8-5-4-6-2-1-3-7(11(14)15)9(6)10(8)13/h1-3,8,12H,4-5H2,(H,14,15).
What are the key properties of 7-hydroxy-8-oxo-6,7-dihydro-5H-naphthalene-1-carboxylic acid?
7-hydroxy-8-oxo-6,7-dihydro-5H-naphthalene-1-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-oxo-6,7-dihydro-5H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 12676397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).