Shikimic Acid

CAS	138-59-0
Structure
Synonyms	Shikimic acid methyl esther
IUPAC Name	(3R,4S,5R)-3,4,5-Trihydroxycyclohexene-1-carboxylic acid
Molecular Weight	174.15
Molecular Formula	C7H10O5
Canonical SMILES	C1C(C(C(C=C1C(=O)O)O)O)O
InChI	InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1
InChI Key	JXOHGGNKMLTUBP-HSUXUTPPSA-N
Boiling Point	225.11 °C
Melting Point	185-187 °C(lit.)
Purity	98%
Density	1.52 g/cm³
Refractive Index	-180 ° (C=1, H₂O)
pKa	5.19
Solubility in Water	180 g/L
Appearance	Solid