Summary

IMPPAT Phytochemical identifier: IMPHY017721

Phytochemical name: Cyclohexanecarboxylic acid

Synonymous chemical names:
cyclohexanecarboxylic acid

External chemical identifiers:
CID:7413, ChEBI:36096, ZINC:ZINC000012358763, FDASRS:H9VKD9VL18, SureChEMBL:SCHEMBL6501, MolPort-000-871-571

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Chemical structure information

SMILES:
OC(=O)C1CCCCC1

InChI:
InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)

InChIKey:
NZNMSOFKMUBTKW-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCCCCC6

Functional groups:
CC(=O)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acids

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 0.001

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Chemical structure download