Secologanic acid

Chemical Properties

Boiling point	681.6±55.0 °C(Predicted)
Density	1.57±0.1 g/cm3(Predicted)
pka	11.21±0.60(Predicted)
form	Solid
color	White to off-white
InChI	InChI=1/C16H22O10/c1-2-6-7-3-10(18)25-14(22)8(7)5-23-15(6)26-16-13(21)12(20)11(19)9(4-17)24-16/h2,5-7,9-13,15-21H,1,3-4H2/t6-,7+,9-,10,11-,12+,13-,15+,16+/s3
InChIKey	LCTYGGXMQYUYHL-KAZKWRDXNA-N
SMILES	C([C@H]1[C@@H](OC=C2C(OC(O)C[C@@]12[H])=O)O[C@@]1([H])[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)=C \|&1:1,2,11,15,17,18,20,22,r\|

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