Summary

Molecular formula: C10H14O4
SMILES: OC(=O)CC(CC1=C(C)CCC1=O)O
InChI: InChI=1S/C10H14O4/c1-6-2-3-9(12)8(6)4-7(11)5-10(13)14/h7,11H,2-5H2,1H3,(H,13,14)
InChIKey: KHOGFVBKFSKLTN-UHFFFAOYSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCC1

Scaffold Graph/Node level:
OC1CCCC1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

Kingdom: Organic compounds
Super class: Organic acids and derivatives
Class: Hydroxy acids and derivatives
Sub class: Beta hydroxy acids and derivatives

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Synonymous chemical names:
2-(3-carboxy-2-hydroxypropyl)-3-methyl-2-cyclopentenone

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External chemical identifiers:
CID_24778408; NPATLAS_NPA008496; CHEMSPIDER_28285007

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Chemical structure download