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5230-87-5
ANISATIN
Name
ANISATIN
Formula
C15 H20 O8
MolWeight
328.315
1Identification
【Name】
ANISATIN
【CAS】
【MDL】
MFCD01683844
【English Synonyms】
【Formula】
C15 H20 O8
【MolWeight】
328.315
【Inchi】
InChI=1S/C15H20O8/c1-6-3-7(16)15(21)13(6)4-8(23-10(18)9(13)17)12(2,20)14(15)5-22-11(14)19/h6-9,16-17,20-21H,3-5H2,1-2H3/t6-,7-,8+,9+,12+,13+,14+,15-/m1/s1
【InChIKey】
InChIKey=GEVWHIDSUOMVRI-UMRKJVLKSA-N
【SMILES】
C[C@@H]1C[C@H]([C@]2([C@@]13C[C@@H]([C@]([C@@]24COC4=O)(C)O)OC(=O)[C@@H]3O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:8
XLogP3:-2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
ANISATIN.cml
Quick Release
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