4-hydroxycyclohexa-1,5-diene-1-carboxylic acid

C7H8O3 — CID 123232738

IUPAC4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
SMILESO=C(O)C1=CCC(O)C=C1
InChIInChI=1S/C7H8O3/c8-6-3-1-5(2-4-6)7(9)10/h1-3,6,8H,4H2,(H,9,10)
InChIKeyFVDWEIUZPHVJPO-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.32
Rot. Bonds1

About 4-hydroxycyclohexa-1,5-diene-1-carboxylic acid

4-hydroxycyclohexa-1,5-diene-1-carboxylic acid (PubChem CID 123232738) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 4-hydroxycyclohexa-1,5-diene-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
PubChem CID123232738
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
SMILESO=C(O)C1=CCC(O)C=C1
InChIInChI=1S/C7H8O3/c8-6-3-1-5(2-4-6)7(9)10/h1-3,6,8H,4H2,(H,9,10)
InChIKeyFVDWEIUZPHVJPO-UHFFFAOYSA-N
XLogP0.32
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxycyclohexa-1,5-diene-1-carboxylic acid?
The IUPAC name of 4-hydroxycyclohexa-1,5-diene-1-carboxylic acid (CID 123232738) is 4-hydroxycyclohexa-1,5-diene-1-carboxylic acid.
What is the SMILES notation for 4-hydroxycyclohexa-1,5-diene-1-carboxylic acid?
The canonical SMILES for 4-hydroxycyclohexa-1,5-diene-1-carboxylic acid is O=C(O)C1=CCC(O)C=C1.
What is the InChIKey of 4-hydroxycyclohexa-1,5-diene-1-carboxylic acid?
The InChIKey is FVDWEIUZPHVJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c8-6-3-1-5(2-4-6)7(9)10/h1-3,6,8H,4H2,(H,9,10).
What are the key properties of 4-hydroxycyclohexa-1,5-diene-1-carboxylic acid?
4-hydroxycyclohexa-1,5-diene-1-carboxylic acid has a molecular weight of 140.14 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxycyclohexa-1,5-diene-1-carboxylic acid is sourced from PubChem (CID 123232738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).