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α-Asarone

CAT: 0926-FA67775-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FA67775-01Size:10 g
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CAS Number
2883-98-9
Synonyms
(E) -1,2,4-Trimethoxy-5- (prop-1-en-1-yl) benzene; (E) -Asarone
MDL Number
MFCD00064457
Smiles
C/C=C/C1=CC (=C (C=C1OC) OC) OC
Molecular Formula
C12H16O3
Molecular Weight
208.25 g/mol
Controlled
No

Chemical Information

Asarone

Alpha-asarone is the trans-isomer of asarone. It has a role as an anticonvulsant and a GABA modulator.

CAS Number2883-98-9
PubChem CID636822
IUPAC Name1,2,4-trimethoxy-5-[(E)-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-AATRIKPKSA-N
Chemical Structure
2D Structure
2D structure of Asarone
CAS: 2883-98-9
CID: 636822
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

Related Products

CatalogName
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