2-hydroxycyclohexa-1,3-diene-1-carboxylic acid

C7H8O3 — CID 70015497

IUPAC2-hydroxycyclohexa-1,3-diene-1-carboxylic acid
SMILESO=C(O)C1=C(O)C=CCC1
InChIInChI=1S/C7H8O3/c8-6-4-2-1-3-5(6)7(9)10/h2,4,8H,1,3H2,(H,9,10)
InChIKeyFEIYGIWFDZOSHC-UHFFFAOYSA-N
MW140.14 g/mol
LogP1.23
Rot. Bonds1

About 2-hydroxycyclohexa-1,3-diene-1-carboxylic acid

2-hydroxycyclohexa-1,3-diene-1-carboxylic acid (PubChem CID 70015497) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-hydroxycyclohexa-1,3-diene-1-carboxylic acid.

Molecular Properties

Compound Name2-hydroxycyclohexa-1,3-diene-1-carboxylic acid
PubChem CID70015497
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name2-hydroxycyclohexa-1,3-diene-1-carboxylic acid
SMILESO=C(O)C1=C(O)C=CCC1
InChIInChI=1S/C7H8O3/c8-6-4-2-1-3-5(6)7(9)10/h2,4,8H,1,3H2,(H,9,10)
InChIKeyFEIYGIWFDZOSHC-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxycyclohexa-1,3-diene-1-carboxylic acid?
The IUPAC name of 2-hydroxycyclohexa-1,3-diene-1-carboxylic acid (CID 70015497) is 2-hydroxycyclohexa-1,3-diene-1-carboxylic acid.
What is the SMILES notation for 2-hydroxycyclohexa-1,3-diene-1-carboxylic acid?
The canonical SMILES for 2-hydroxycyclohexa-1,3-diene-1-carboxylic acid is O=C(O)C1=C(O)C=CCC1.
What is the InChIKey of 2-hydroxycyclohexa-1,3-diene-1-carboxylic acid?
The InChIKey is FEIYGIWFDZOSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c8-6-4-2-1-3-5(6)7(9)10/h2,4,8H,1,3H2,(H,9,10).
What are the key properties of 2-hydroxycyclohexa-1,3-diene-1-carboxylic acid?
2-hydroxycyclohexa-1,3-diene-1-carboxylic acid has a molecular weight of 140.14 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxycyclohexa-1,3-diene-1-carboxylic acid is sourced from PubChem (CID 70015497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).