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Structure

2,4-Pentadienoic acid,5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-,(2Z,4E)-

CAS
14398-53-9
Catalog Number
ACM14398539
Category
Other Products
Molecular Weight
264.32
Molecular Formula
C15H20O4

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Specification

Synonyms
(−)-cis,trans-Abscisic acid; (R)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methyl-(2Z,4E)-pentadienoic acid;
IUPAC Name
(2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
Canonical SMILES
CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C
InChI Key
JLIDBLDQVAYHNE-QHFMCZIYSA-N
Boiling Point
458.7ºC at 760 mmHg
Flash Point
245.4ºC
Density
1.193g/cm³
Exact Mass
264.13600
H-Bond Acceptor
4
H-Bond Donor
2
WGK Germany
3
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