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Benzyl ferulate

CAT: 0013-GTR19182003-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19182003-02Size:5 mg
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Description
Benzyl ferulate
CAS Number
132335-97-8
Field of Research
Cell Biology, Infectious Disease & Virology
Purity
99.77% (May vary between batches)
Smiles
COc1cc (\C=C\C (=O) OCc2ccccc2) ccc1O
Molecular Formula
C17H16O4
Molecular Weight
284.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Benzyl ferulate

Benzyl ferulate has been reported in Populus euphratica, Populus grandidentata, and other organisms with data available.

CAS Number132335-97-8
PubChem CID7766335
IUPAC Namebenzyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular FormulaC17H16O4
Molecular Weight284.31
XLogP3.3
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity347
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=CC=CC=C2)O
InChI
InChI=1S/C17H16O4/c1-20-16-11-13(7-9-15(16)18)8-10-17(19)21-12-14-5-3-2-4-6-14/h2-11,18H,12H2,1H3/b10-8+
InChIKey
DZAPHTCUSDTZAT-CSKARUKUSA-N
Chemical Structure
2D Structure
2D structure of Benzyl ferulate
CAS: 132335-97-8
CID: 7766335
Formula: C17H16O4
MW: 284.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.31
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass284.10485899
Monoisotopic Mass284.10485899
Topological Polar Surface Area55.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity347
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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