855415-87-1
1,4-BENZODIOXIN-2(3H)-ONE, 7-ACETYL-6-HYDROXY-3-(1-METHYLETHYLIDENE)-
Name1,4-BENZODIOXIN-2(3H)-ONE, 7-ACETYL-6-HYDROXY-3-(1-METHYLETHYLIDENE)-
1Identification
【Name】
1,4-BENZODIOXIN-2(3H)-ONE, 7-ACETYL-6-HYDROXY-3-(1-METHYLETHYLIDENE)-
【CAS】
【MDL】
MFCD16878088
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H12 O5
【pro_molWeight】
248.233
【Inchi】
InChI=1S/C13H12O5/c1-6(2)12-13(16)18-10-4-8(7(3)14)9(15)5-11(10)17-12/h4-5,15H,1-3H3
【InChIKey】
InChIKey=QVKZZEJKDSKKMC-UHFFFAOYSA-N
【SMILES】
CC(=C1C(=O)Oc2cc(c(cc2O1)O)C(=O)C)C
【MOL File】
1,4-BENZODIOXIN-2(3H….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1,4-BENZODIOXIN-2(3H)-ONE, 7-ACETYL-6-HYDROXY-3-(1-METHYLETHYLIDENE)-.cml