3-hydroxycyclohexene-1-carboxylic acid

C7H10O3 — CID 55299090

IUPAC3-hydroxycyclohexene-1-carboxylic acid
SMILESO=C(O)C1=CC(O)CCC1
InChIInChI=1S/C7H10O3/c8-6-3-1-2-5(4-6)7(9)10/h4,6,8H,1-3H2,(H,9,10)
InChIKeyXTUWBPMQHYBTNC-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.54
Rot. Bonds1

About 3-hydroxycyclohexene-1-carboxylic acid

3-hydroxycyclohexene-1-carboxylic acid (PubChem CID 55299090) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 3-hydroxycyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxycyclohexene-1-carboxylic acid
PubChem CID55299090
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name3-hydroxycyclohexene-1-carboxylic acid
SMILESO=C(O)C1=CC(O)CCC1
InChIInChI=1S/C7H10O3/c8-6-3-1-2-5(4-6)7(9)10/h4,6,8H,1-3H2,(H,9,10)
InChIKeyXTUWBPMQHYBTNC-UHFFFAOYSA-N
XLogP0.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxycyclohexene-1-carboxylic acid?
The IUPAC name of 3-hydroxycyclohexene-1-carboxylic acid (CID 55299090) is 3-hydroxycyclohexene-1-carboxylic acid.
What is the SMILES notation for 3-hydroxycyclohexene-1-carboxylic acid?
The canonical SMILES for 3-hydroxycyclohexene-1-carboxylic acid is O=C(O)C1=CC(O)CCC1.
What is the InChIKey of 3-hydroxycyclohexene-1-carboxylic acid?
The InChIKey is XTUWBPMQHYBTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-6-3-1-2-5(4-6)7(9)10/h4,6,8H,1-3H2,(H,9,10).
What are the key properties of 3-hydroxycyclohexene-1-carboxylic acid?
3-hydroxycyclohexene-1-carboxylic acid has a molecular weight of 142.15 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxycyclohexene-1-carboxylic acid is sourced from PubChem (CID 55299090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).