Quinic acid

Catalog	BBC77952
CAS	77-95-2
Structure
Synonyms	Chinasaure
IUPAC Name	(3R,5R)-1,3,4,5-Tetrahydroxycyclohexane-1-carboxylic acid
Molecular Weight	192.17
Molecular Formula	C7H12O6
Canonical SMILES	C1C(C(C(CC1(C(=O)O)O)O)O)O
InChI	InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5?,7?/m1/s1
InChI Key	AAWZDTNXLSGCEK-LNVDRNJUSA-N
Boiling Point	248.13 °C
Melting Point	165-170 °C
Flash Point	233.1 °C
Purity	98%
Density	1.64 g/cm³ (20 °C)
Appearance	Crystalline powder
Storage	Store below +30 °C
pH	2.0 (10g/l, H2O, 20°C)
pKa	4.27±0.50(Predicted)
Refractive Index	-43.5 ° (C=10, H2O)
Solubility in Water	290 g/L