Abscisic acid

Catalog	BBC14375452
CAS	14375-45-2
Structure
Synonyms	(±)-cis-2,trans-4-Abscisic acid
IUPAC Name	(2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid
Molecular Weight	264.32
Molecular Formula	C15H20O4
Canonical SMILES	CC1=CC(=O)CC(C1(/C=C/C(=C\C(=O)O)/C)O)(C)C
InChI	InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-
InChI Key	JLIDBLDQVAYHNE-LXGGSRJLSA-N
Melting Point	186-188 °C (lit.)
Purity	98%
Density	1.193±0.06 g/ml
pKa	4.87±0.33