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Elemicin

CAT: 1596-AR-E01162-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E01162-01Size:10 Units
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CAS Number
487-11-6
Synonyms
5-allyl-1,2,3-trimethoxybenzene; 3,4,5-Trimethoxyallylbenzene; 3- (3,4,5-Trimethoxyphenyl) -1-propene; 1,2,3-Trimethoxy-5- (2-propenyl) benzene; 1,2,3-trimethoxy-5- (prop-2-en-1-yl) benzene; 4-allyl-1,2,6-trimethoxybenzene; 5'-metoxy eugenol
Molecular Formula
C12H16O3
Molecular Weight
208.25
API Name
Elemicin

Chemical Information

Elemicin

Elemicin is an olefinic compound.

CAS Number487-11-6
PubChem CID10248
IUPAC Name1,2,3-trimethoxy-5-prop-2-enylbenzene
Molecular FormulaC12H16O3
Molecular Weight208.25
XLogP2.5
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity179
SMILES
COC1=CC(=CC(=C1OC)OC)CC=C
InChI
InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3
InChIKey
BPLQKQKXWHCZSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Elemicin
CAS: 487-11-6
CID: 10248
Formula: C12H16O3
MW: 208.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.25
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass208.109944368
Monoisotopic Mass208.109944368
Topological Polar Surface Area27.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity179
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AB0426Elemicin
HY-N6807SElemicin-d3
HY-N6807R-01Elemicin (Standard)

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