Caffeic Acid Dimethyl Ether Phenethyl Ester

CAT: 0572-TRC-C080010-250MGSize: 250 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-C080010-250MGSize:250 mg

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CAS Number

145551-14-0

Hazard Statement

Not a hazardous substance according to GHS.

Purity

>95% (HPLC)

Smiles

COc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1OC

Molecular Formula

C19 H20 O4

Molecular Weight

312.36

InChI

InChI=1S/C19H20O4/c1-21-17-10-8-16(14-18(17)22-2)9-11-19(20)23-13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3/b11-9+

Additionnal Information

IUPAC name: 2-phenylethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Phenethyl Dimethyl Caffeate

CAS Number	145551-14-0
PubChem CID	3133
IUPAC Name	2-phenylethyl 3-(3,4-dimethoxyphenyl)prop-2-enoate
Molecular Formula	C19H20O4
Molecular Weight	312.4
XLogP	4.1
Topological Polar Surface Area	44.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	23
Formal Charge	0
Complexity	374

SMILES

COC1=C(C=C(C=C1)C=CC(=O)OCCC2=CC=CC=C2)OC

InChI

InChI=1S/C19H20O4/c1-21-17-10-8-16(14-18(17)22-2)9-11-19(20)23-13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3

InChIKey

OHBFHJOQNCVEOU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 145551-14-0

CID: 3133

Formula: C19H20O4

MW: 312.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	312.4
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	312.13615911
Monoisotopic Mass	312.13615911
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	374
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
TRC-C080050-25MG	Caffeic Acid Phenethyl Ester
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TRC-M831560-25MG	Mycophenolic Acid Carboxybutoxy Ether Dimethyl Ester
TRC-M831560-100MG	Mycophenolic Acid Carboxybutoxy Ether Dimethyl Ester
TRC-C080040-5G	Caffeic Acid Methyl Ester
TRC-C080005-10MG	Caffeic Acid Benzyl Ester
TRC-C080040-250MG	Caffeic Acid Methyl Ester
TRC-C080040-1G	Caffeic Acid Methyl Ester
TRC-C080007-25MG	Caffeic Acid Benzyl Ester-d5

Alternative Products

Catalog	Name
C0109-71	Caffeic Acid, Dimethyl Ether, Phenethyl Ester (Phenethyl Dimethyl Caffeate)
267823-01	Caffeic acid dimethyl ether phenethyl ester
456710-01	Mycophenolic Acid Carboxybutoxy Ether Dimethyl Ester
sc-204841	Phenethyl dimethyl caffeate
OR51882	Dimethyl ether
AR-P31095-01	Dimethyl-Phenethyl Sulfonium Iodide
MBS6051568-01	Caffeic Acid, Phenethyl Ester (CAPE, Phenethyl Caffeate)
B1644-5.1	Caffeic Acid Phenethyl Ester
Q-2305.0001	Caffeic acid-phenethyl ester

Caffeic Acid Dimethyl Ether Phenethyl Ester

Chemical Information

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