Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018074

Phytochemical name: Tricyclo[3.2.2.0]nonane-2-carboxylic acid

Synonymous chemical names:
Tricyclo[3.2.2.0]nonane-2-carboxylic acid

External chemical identifiers:
CID:CID_564376

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Chemical structure information

SMILES:
OC(=O)C1CCC23C1(CC2)CC3

InChI:
InChI=1S/C10H14O2/c11-8(12)7-1-2-9-3-5-10(7,9)6-4-9/h7H,1-6H2,(H,11,12)

InChIKey:
BVXPOAYLAHDJDI-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCCCC5CC4))CC4

Functional groups:
CC(=O)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC23CCC2(C1)CC3

Scaffold Graph/Node level:
C1CC23CCC2(C1)CC3

Scaffold Graph level:
C1CC23CCC2(C1)CC3

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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-Likeness score: 2.246

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Chemical structure download