5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid

C7H8O4 — CID 3

IUPAC5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
SMILESO=C(O)C1=CC=CC(O)C1O
InChIInChI=1S/C7H8O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,5-6,8-9H,(H,10,11)
InChIKeyINCSWYKICIYAHB-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.71
Rot. Bonds1

About 5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid

5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid (PubChem CID 3) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid.

Molecular Properties

Compound Name5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
PubChem CID3
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
SMILESO=C(O)C1=CC=CC(O)C1O
InChIInChI=1S/C7H8O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,5-6,8-9H,(H,10,11)
InChIKeyINCSWYKICIYAHB-UHFFFAOYSA-N
XLogP-0.71
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid?
The IUPAC name of 5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid (CID 3) is 5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid.
What is the SMILES notation for 5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid?
The canonical SMILES for 5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid is O=C(O)C1=CC=CC(O)C1O.
What is the InChIKey of 5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid?
The InChIKey is INCSWYKICIYAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,5-6,8-9H,(H,10,11).
What are the key properties of 5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid?
5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid has a molecular weight of 156.14 g/mol, XLogP of -0.71, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid is sourced from PubChem (CID 3), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).