Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Coumarins	81-81-2	447632

Structure

Other Information

Canonical SMILES	CC(=O)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O
Iso SMILES	CC(=O)C[C@@H](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/t15-/m0/s1
InChI Key	QTXVAVXCBMYBJW-HNNXBMFYSA-N
Formula	C19H16O4
Mol Weight	308.328
XlogP3	2.7
Charge	0

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Synonyms Information

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