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

C7H8O2 — CID 12625499

IUPACcyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1C=CC=CC1
InChIInChI=1S/C7H8O2/c8-7(9)6-4-2-1-3-5-6/h1-4,6H,5H2,(H,8,9)
InChIKeyWISCONQAEAWCKO-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.20
Rot. Bonds1

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

cyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 12625499) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is cyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Namecyclohexa-2,4-diene-1-carboxylic acid
PubChem CID12625499
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Namecyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1C=CC=CC1
InChIInChI=1S/C7H8O2/c8-7(9)6-4-2-1-3-5-6/h1-4,6H,5H2,(H,8,9)
InChIKeyWISCONQAEAWCKO-UHFFFAOYSA-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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Related Compounds

2,5-Cyclohexadiene-1-carboxylic acid
CID 78522
1,4-Dihydro-2-methylbenzoic acid
CID 564581
(4E)-2-methylhex-4-enoic acid
CID 10290806
Hepta-4,6-dienoic acid
CID 53405102
2-Ethylpent-3-enoic acid
CID 54141565
1,2-Dihydrophthalic acid
CID 89904
6-Heptadienoic acid
CID 10866335
Dihydrophenylacetic acid
CID 10942501
2-ethyl-3E-hexenoic acid
CID 5282664
(1R)-cyclohexa-2,4-diene-1-carboxylic acid
CID 12625511
2-(Cyclohepta-2,4,6-trien-1-yl)acetic acid
CID 355328
CID 12625522
CID 12625522

Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of cyclohexa-2,4-diene-1-carboxylic acid (CID 12625499) is cyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for cyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for cyclohexa-2,4-diene-1-carboxylic acid is O=C(O)C1C=CC=CC1.
What is the InChIKey of cyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is WISCONQAEAWCKO-UHFFFAOYSA-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).
What are the key properties of cyclohexa-2,4-diene-1-carboxylic acid?
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 cyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 12625499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).