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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Related Compounds

2-oxalocyclopenta-2,4-diene-1-carboxylic acid
CID 146361988
1H-benzo[7]annulene-1-carboxylic acid
CID 140604884
2-prop-2-enylcyclopenta-2,4-diene-1-carboxylic acid
CID 101454997
6-oxocyclohexa-2,4-diene-1-carboxylic acid
CID 53400811
1-(2-acetylcyclopenta-2,4-dien-1-yl)ethanone
CID 13152392
5-[2-(4-carboxybutanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoic acid
CID 174341603
2-hydroxycyclohexa-2,4-diene-1-carboxylic acid
CID 67780854
6-sulfonylcyclohexa-2,4-diene-1-carboxylic acid
CID 87282734
6-sulfinylcyclohexa-2,4-diene-1-carboxylic acid
CID 88639766
5-methyl-6-oxocyclohexa-2,4-diene-1-carboxylic acid;2-oxo-3-phenylpropanoic acid
CID 159269206
5-hydroxy-2,3,4a,8a-tetrahydronaphthalene-1,4-dione
CID 76684149
bis(6-ethylidenecyclohexa-2,4-diene-1-carboxylic acid);hexanedioic acid
CID 70442974

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).