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Sinapyl Alcohol (>85%)

CAT: 0572-TRC-S486823-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S486823-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
537-33-7
Hazard Statement
Causes skin irritation
Smiles
COc1cc(\C=C\CO)cc(OC)c1O
Molecular Formula
C11H14O4
Molecular Weight
210.23
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Sinapyl alcohol

Sinapyl alcohol is a primary alcohol, being cinnamyl alcohol hydroxylated at C-4 and methoxylated at C-3 and -5. It has a role as a plant metabolite. It is a primary alcohol, a member of phenols and a dimethoxybenzene. It is functionally related to a cinnamyl alcohol.

CAS Number537-33-7
PubChem CID5280507
IUPAC Name4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenol
Molecular FormulaC11H14O4
Molecular Weight210.23
XLogP1.3
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity191
SMILES
COC1=CC(=CC(=C1O)OC)/C=C/CO
InChI
InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+
InChIKey
LZFOPEXOUVTGJS-ONEGZZNKSA-N
Chemical Structure
2D Structure
2D structure of Sinapyl alcohol
CAS: 537-33-7
CID: 5280507
Formula: C11H14O4
MW: 210.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.23
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass210.08920892
Monoisotopic Mass210.08920892
Topological Polar Surface Area58.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity191
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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