Summary

IMPPAT Phytochemical identifier: IMPHY012189

Phytochemical name: 8-Nonynoic acid

Synonymous chemical names:
8-nonynoic acid

External chemical identifiers:
CID:35698, ChEBI:137768, ZINC:ZINC000002034000, SureChEMBL:SCHEMBL2985078

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Chemical structure information

SMILES:
C#CCCCCCCC(=O)O

InChI:
InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h1H,3-8H2,(H,10,11)

InChIKey:
NLRIJHGYFNZMGB-UHFFFAOYSA-N

DeepSMILES:
C#CCCCCCCC=O)O

Functional groups:
C#CC, CC(=O)O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP-Likeness score: 0.643

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Chemical structure download