Summary

Molecular formula: C13H16O4
SMILES: COC(=O)c1ccc(c(c1)C(=O)CC(C)C)O
InChI: InChI=1S/C13H16O4/c1-8(2)6-12(15)10-7-9(13(16)17-3)4-5-11(10)14/h4-5,7-8,14H,6H2,1-3H3
InChIKey: SGCOSPKWMNXZNV-UHFFFAOYSA-N

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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

Kingdom: Organic compounds
Super class: Organic oxygen compounds
Class: Organooxygen compounds
Sub class: Carbonyl compounds

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Synonymous chemical names:
methyl 4-hydroxy-3-(3-methylbutanoyl)benzoate

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External chemical identifiers:
CID_11586720; NPATLAS_NPA017115; CHEMSPIDER_9761484; ZINC_ZINC000035874747

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Chemical structure download