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517-89-5
SHIKONIN
Name
SHIKONIN
Formula
C16 H16 O5
MolWeight
288.297
1Identification
【Name】
SHIKONIN
【CAS】
54952-43-1
;517-89-5
【MDL】
MFCD00075680
【English Synonyms】
【Formula】
C16 H16 O5
【MolWeight】
288.297
【Inchi】
InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m1/s1
【InChIKey】
InChIKey=NEZONWMXZKDMKF-SNVBAGLBSA-N
【SMILES】
CC(=CC[C@H](C1=CC(=O)c2c(ccc(c2C1=O)O)O)O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
SHIKONIN.cml
Quick Release
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Catalog No:PS-BI-156
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Business Type:Lab/Research institutions
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