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Erythro-1,2-dihydroxyasarone

CAT: 1410-M32626-01Size: 1 EachDry Ice: NoHazardous: No
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Description
The seeds of Daucus carota.
CAS Number
146830-05-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
242.3
Molecular Formula
C12H18O5
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

1-(2,4,5-Trimethoxyphenyl)propane-1,2-diol

1-(2,4,5-Trimethoxyphenyl)propane-1,2-diol has been reported in Piper guineense with data available.

CAS Number146830-05-9
PubChem CID23757226
IUPAC Name1-(2,4,5-trimethoxyphenyl)propane-1,2-diol
Molecular FormulaC12H18O5
Molecular Weight242.27
XLogP0.7
Topological Polar Surface Area68.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity223
SMILES
CC(C(C1=CC(=C(C=C1OC)OC)OC)O)O
InChI
InChI=1S/C12H18O5/c1-7(13)12(14)8-5-10(16-3)11(17-4)6-9(8)15-2/h5-7,12-14H,1-4H3
InChIKey
ZSTCCLUBWBHJMP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,4,5-Trimethoxyphenyl)propane-1,2-diol
CAS: 146830-05-9
CID: 23757226
Formula: C12H18O5
MW: 242.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.27
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass242.11542367
Monoisotopic Mass242.11542367
Topological Polar Surface Area68.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity223
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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HY-N15717(erythro) 1′,2′-Dihydroxyasarone
GTR19269404Erythro-1',2'-dihydroxyasarone
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TN11526-01(threo) 1',2'-Dihydroxyasarone
GTR19287031-01Threo-1,2-dihydroxyasarone
GTR19269403Threo-1',2'-dihydroxyasarone
GTR192690732',3'-Dihydroxyasarone
TN4002Erythro-1-Phenylpropane-1,2-diol
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