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(+) -Abscisic Acid Extra Pure (ABA)

CAT: 0459-001000-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0459-001000-01Size:25 mg
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CAS Number
14375-45-2

Chemical Information

(+/-)-Abscisic acid

2-cis-abscisic acid is a member of the class of abscisic acids in which the double bond betweeen positions 2 and 3 has cis- (natural) geometry. It has a role as an abscisic acid receptor agonist. It is a conjugate acid of a 2-cis-abscisate.

CAS Number14375-45-2
PubChem CID5375199
IUPAC Name(2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid
Molecular FormulaC15H20O4
Molecular Weight264.32
XLogP1.6
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity494
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-
InChIKey
JLIDBLDQVAYHNE-LXGGSRJLSA-N
Chemical Structure
2D Structure
2D structure of (+/-)-Abscisic acid
CAS: 14375-45-2
CID: 5375199
Formula: C15H20O4
MW: 264.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.32
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass264.13615911
Monoisotopic Mass264.13615911
Topological Polar Surface Area74.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity494
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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