80916-87-6
8-(5-OXAHEPTYLOXY)-3-(1H-TETRAZOL-5-YL)COUMARIN
Name8-(5-OXAHEPTYLOXY)-3-(1H-TETRAZOL-5-YL)COUMARIN
1Identification
【Name】
8-(5-OXAHEPTYLOXY)-3-(1H-TETRAZOL-5-YL)COUMARIN
【CAS】
【MDL】
MFCD01762833
【EnglishSynonyms】
【pro_formula】
C16 H18 N4 O4
【pro_molWeight】
330.342
【Inchi】
InChI=1S/C16H18N4O4/c1-2-22-8-3-4-9-23-13-7-5-6-11-10-12(15-17-19-20-18-15)16(21)24-14(11)13/h5-7,10H,2-4,8-9H2,1H3,(H,17,18,19,20)
【InChIKey】
InChIKey=BLWURIRWYIJULF-UHFFFAOYSA-N
【SMILES】
CCOCCCCOc1cccc2c1oc(=O)c(c2)c3[nH]nnn3
【MOL File】
8-(5-OXAHEPTYLOXY)-3….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:8
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
8-(5-OXAHEPTYLOXY)-3-(1H-TETRAZOL-5-YL)COUMARIN.cml