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Beta-Asarone

CAT: 0127-BUP04369-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP04369-03Size:50 mg
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CAS Number
5273-86-9
Synonyms
Cis-Isoasarone, Cis-Asarone, Cis-Isoelemicin
Purity
=95%
Smiles
COc1cc(OC)c(\C=C/C)cc1OC

Chemical Information

Beta-Asarone

Asarone is a phenylpropanoid that is benzene substituted by methoxy groups at positions 1, 2 and 4 and a propen-1-yl group at position 5. It has been isolated from Acorus. It has a role as a plant metabolite. It is an alkenylbenzene, a phenylpropanoid and a member of methoxybenzenes.

CAS Number5273-86-9
PubChem CID5281758
IUPAC Name1,2,4-trimethoxy-5-[(Z)-prop-1-enyl]benzene
Molecular FormulaC12H16O3
Molecular Weight208.25
XLogP3
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity203
SMILES
C/C=C\C1=CC(=C(C=C1OC)OC)OC
InChI
InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5-
InChIKey
RKFAZBXYICVSKP-WAYWQWQTSA-N
Chemical Structure
2D Structure
2D structure of Beta-Asarone
CAS: 5273-86-9
CID: 5281758
Formula: C12H16O3
MW: 208.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.25
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass208.109944368
Monoisotopic Mass208.109944368
Topological Polar Surface Area27.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity203
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19159089-01Beta-Asarone
A22354-50Beta-asarone 50mg
A22354-10Beta-asarone 10mg
HY-N1501R-01Beta-asarone (Standard)
A22354-100Beta-asarone 100mg
A22354-25Beta-asarone 25mg
A22354-5Beta-asarone 5mg
A22354-1Beta-asarone 1mg
TRC-A780200-1Gcis-beta-Asarone (>70%)
AB0684β-Asarone

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