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Piperic acid

CAT: 0013-GTR19198742-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198742-03Size:100 mg
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Description
Piperic acid is a bioactive small molecule exhibiting significant antioxidant and antibacterial activities. It serves as a valuable research tool in microbiology and oxidative stress studies, with applications in both in vitro assay systems and in vivo model research.
CAS Number
5285-18-7
Field of Research
Infectious Disease & Virology
Smiles
C (=CC=CC (O) =O) C=1C=C2C (=CC1) OCO2
Molecular Formula
C12H10O4
Molecular Weight
218.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid

5-(2H-1,3-benzodioxol-5-yl)penta-2,4-dienoic acid has been reported in Piper swartzianum and Piper tuberculatum with data available.

CAS Number5285-18-7
PubChem CID94305
IUPAC Name5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid
Molecular FormulaC12H10O4
Molecular Weight218.20
XLogP2.7
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity308
SMILES
C1OC2=C(O1)C=C(C=C2)C=CC=CC(=O)O
InChI
InChI=1S/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1-7H,8H2,(H,13,14)
InChIKey
RHBGITBPARBDPH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid
CAS: 5285-18-7
CID: 94305
Formula: C12H10O4
MW: 218.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.20
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass218.05790880
Monoisotopic Mass218.05790880
Topological Polar Surface Area55.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity308
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count2
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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