6-hydroxy-5-oxocyclohexa-1,3-diene-1-carboxylic acid

C7H6O4 — CID 141303388

IUPAC6-hydroxy-5-oxocyclohexa-1,3-diene-1-carboxylic acid
SMILESO=C(O)C1=CC=CC(=O)C1O
InChIInChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,6,9H,(H,10,11)
InChIKeyOUUIYRZOGHXKQK-UHFFFAOYSA-N
MW154.12 g/mol
LogP-0.50
Rot. Bonds1

About 6-hydroxy-5-oxocyclohexa-1,3-diene-1-carboxylic acid

6-hydroxy-5-oxocyclohexa-1,3-diene-1-carboxylic acid (PubChem CID 141303388) has the molecular formula C7H6O4 and a molecular weight of 154.12 g/mol. Its IUPAC name is 6-hydroxy-5-oxocyclohexa-1,3-diene-1-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-5-oxocyclohexa-1,3-diene-1-carboxylic acid
PubChem CID141303388
Molecular FormulaC7H6O4
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name6-hydroxy-5-oxocyclohexa-1,3-diene-1-carboxylic acid
SMILESO=C(O)C1=CC=CC(=O)C1O
InChIInChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,6,9H,(H,10,11)
InChIKeyOUUIYRZOGHXKQK-UHFFFAOYSA-N
XLogP-0.50
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,6S)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
CID 9964159
5,6-Dihydroxycyclohexa-1,3-diene-1-carboxylic acid
CID 3
(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate
CID 45266758
Phthalate 3,4-cis-dihydrodiol
CID 25245055
2,3-Dihydroxy-2,3-dihydrobenzoate
CID 23615184
(2E,4Z)-4-(carboxymethylene)-5-hydroxyhept-2-enedioic acid
CID 122391263
(2R,3R)-2,3-dihydroxy-2,3-dihydrobenzoic acid
CID 24771801
5,6-Dioxocyclohexa-1,3-diene-1-carboxylic acid
CID 20154716
cis-3,4-Dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylate
CID 25245054
5,6-Dihydroxycyclohexa-1,3-diene-1,2-dicarboxylic acid
CID 22402894
(5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
CID 25203847
6-Hydroxycyclohexa-1,3-diene-1-carboxylic acid
CID 68257878

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-oxocyclohexa-1,3-diene-1-carboxylic acid?
The IUPAC name of 6-hydroxy-5-oxocyclohexa-1,3-diene-1-carboxylic acid (CID 141303388) is 6-hydroxy-5-oxocyclohexa-1,3-diene-1-carboxylic acid.
What is the SMILES notation for 6-hydroxy-5-oxocyclohexa-1,3-diene-1-carboxylic acid?
The canonical SMILES for 6-hydroxy-5-oxocyclohexa-1,3-diene-1-carboxylic acid is O=C(O)C1=CC=CC(=O)C1O.
What is the InChIKey of 6-hydroxy-5-oxocyclohexa-1,3-diene-1-carboxylic acid?
The InChIKey is OUUIYRZOGHXKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,6,9H,(H,10,11).
What are the key properties of 6-hydroxy-5-oxocyclohexa-1,3-diene-1-carboxylic acid?
6-hydroxy-5-oxocyclohexa-1,3-diene-1-carboxylic acid has a molecular weight of 154.12 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-oxocyclohexa-1,3-diene-1-carboxylic acid is sourced from PubChem (CID 141303388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).