Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Primin / 2-Methoxy-6-n-pentyl-4-benzoquinone	15121-94-5	84800

Structure

Other Information

Canonical SMILES	CCCCCC1=CC(=O)C=C(C1=O)OC
Iso SMILES	CCCCCC1=CC(=O)C=C(C1=O)OC
InChI	InChI=1S/C12H16O3/c1-3-4-5-6-9-7-10(13)8-11(15-2)12(9)14/h7-8H,3-6H2,1-2H3
InChI Key	WLWIMKWZMGJRBS-UHFFFAOYSA-N
Formula	C12H16O3
Mol Weight	208.254
XlogP3	2.6
Charge	0

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Synonyms Information

CAS Name	2-methoxy-6-pentylcyclohexa-2,5-diene-1,4-dione
IUPAC Name	2-methoxy-6-pentyl-1,4-benzoquinone
Openeye Name	2-methoxy-6-pentylcyclohexa-2,5-diene-1,4-dione
Systematic Name	2-methoxy-6-pentyl-cyclohexa-2,5-diene-1,4-dione
Tratitional Name	2-methoxy-6-pentyl-cyclohexa-2,5-diene-1,4-dione