(1R)-cyclohexa-2,4-diene-1-carboxylic acid

C7H8O2 — CID 12625511

IUPAC(1R)-cyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)[C@H]1C=CC=CC1
InChIInChI=1S/C7H8O2/c8-7(9)6-4-2-1-3-5-6/h1-4,6H,5H2,(H,8,9)/t6-/m0/s1
InChIKeyWISCONQAEAWCKO-LURJTMIESA-N
MW124.14 g/mol
LogP1.20
Rot. Bonds1

About (1R)-cyclohexa-2,4-diene-1-carboxylic acid

(1R)-cyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 12625511) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is (1R)-cyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-cyclohexa-2,4-diene-1-carboxylic acid
PubChem CID12625511
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name(1R)-cyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)[C@H]1C=CC=CC1
InChIInChI=1S/C7H8O2/c8-7(9)6-4-2-1-3-5-6/h1-4,6H,5H2,(H,8,9)/t6-/m0/s1
InChIKeyWISCONQAEAWCKO-LURJTMIESA-N
XLogP1.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-cyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of (1R)-cyclohexa-2,4-diene-1-carboxylic acid (CID 12625511) is (1R)-cyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for (1R)-cyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for (1R)-cyclohexa-2,4-diene-1-carboxylic acid is O=C(O)[C@H]1C=CC=CC1.
What is the InChIKey of (1R)-cyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is WISCONQAEAWCKO-LURJTMIESA-N. The full InChI is InChI=1S/C7H8O2/c8-7(9)6-4-2-1-3-5-6/h1-4,6H,5H2,(H,8,9)/t6-/m0/s1.
What are the key properties of (1R)-cyclohexa-2,4-diene-1-carboxylic acid?
(1R)-cyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 124.14 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-cyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 12625511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).