2-hydroxycyclopenta-2,4-diene-1-carboxylic acid

C6H6O3 — CID 174889379

IUPAC2-hydroxycyclopenta-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1C=CC=C1O
InChIInChI=1S/C6H6O3/c7-5-3-1-2-4(5)6(8)9/h1-4,7H,(H,8,9)
InChIKeyWYEYLEJZYAHHOK-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.70
Rot. Bonds1

About 2-hydroxycyclopenta-2,4-diene-1-carboxylic acid

2-hydroxycyclopenta-2,4-diene-1-carboxylic acid (PubChem CID 174889379) has the molecular formula C6H6O3 and a molecular weight of 126.11 g/mol. Its IUPAC name is 2-hydroxycyclopenta-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name2-hydroxycyclopenta-2,4-diene-1-carboxylic acid
PubChem CID174889379
Molecular FormulaC6H6O3
Molecular Weight126.11 g/mol
Exact Mass126.03
IUPAC Name2-hydroxycyclopenta-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1C=CC=C1O
InChIInChI=1S/C6H6O3/c7-5-3-1-2-4(5)6(8)9/h1-4,7H,(H,8,9)
InChIKeyWYEYLEJZYAHHOK-UHFFFAOYSA-N
XLogP0.70
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxycyclopenta-2,4-diene-1-carboxylic acid?
The IUPAC name of 2-hydroxycyclopenta-2,4-diene-1-carboxylic acid (CID 174889379) is 2-hydroxycyclopenta-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 2-hydroxycyclopenta-2,4-diene-1-carboxylic acid?
The canonical SMILES for 2-hydroxycyclopenta-2,4-diene-1-carboxylic acid is O=C(O)C1C=CC=C1O.
What is the InChIKey of 2-hydroxycyclopenta-2,4-diene-1-carboxylic acid?
The InChIKey is WYEYLEJZYAHHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3/c7-5-3-1-2-4(5)6(8)9/h1-4,7H,(H,8,9).
What are the key properties of 2-hydroxycyclopenta-2,4-diene-1-carboxylic acid?
2-hydroxycyclopenta-2,4-diene-1-carboxylic acid has a molecular weight of 126.11 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxycyclopenta-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 174889379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).