Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Heliotropin / Heliotropine / Piperonal	120-57-0	8438

Structure

Other Information

Canonical SMILES	C1OC2=C(O1)C=C(C=C2)C=O
Iso SMILES	C1OC2=C(O1)C=C(C=C2)C=O
InChI	InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2
InChI Key	SATCULPHIDQDRE-UHFFFAOYSA-N
Formula	C8H6O3
Mol Weight	150.131
XlogP3	1.1
Charge	0

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Synonyms Information

CAS Name	1,3-benzodioxole-5-carboxaldehyde
IUPAC Name	1,3-benzodioxole-5-carbaldehyde
Openeye Name	1,3-benzodioxole-5-carbaldehyde
Systematic Name	1,3-benzodioxole-5-carbaldehyde
Tratitional Name	1,3-benzodioxole-5-carbaldehyde