Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Coumarins 81-81-2 6691
Structure Other Information
Canonical SMILES CC(=O)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O
Iso SMILES CC(=O)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O
InChI InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,22H,11H2,1H3
InChI Key QTXVAVXCBMYBJW-UHFFFAOYSA-N
Formula C19H16O4
Mol Weight 308.328
XlogP3 2.7
Charge 0

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Synonyms Information
CAS Name 2-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-4-one
IUPAC Name 2-hydroxy-3-(3-oxo-1-phenyl-butyl)chromen-4-one
Openeye Name 2-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-4-one
Systematic Name 2-oxidanyl-3-(3-oxidanylidene-1-phenyl-butyl)chromen-4-one
Tratitional Name 2-oxidanyl-3-(3-oxidanylidene-1-phenyl-butyl)chromen-4-one