Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Isoamyl salicylate 87-20-7 6874
Structure Other Information
Canonical SMILES CC(C)CCOC(=O)C1=CC=CC=C1O
Iso SMILES CC(C)CCOC(=O)C1=CC=CC=C1O
InChI InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3
InChI Key PMGCQNGBLMMXEW-UHFFFAOYSA-N
Formula C12H16O3
Mol Weight 208.254
XlogP3 4.6
Charge 0

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Synonyms Information
CAS Name 2-hydroxybenzoic acid 3-methylbutyl ester
IUPAC Name isopentyl 2-hydroxybenzoate
Openeye Name 3-methylbutyl 2-hydroxybenzoate
Systematic Name 3-methylbutyl 2-oxidanylbenzoate
Tratitional Name 3-methylbutyl 2-oxidanylbenzoate