α-Acetamidocinnamic acid

CAT: 0804-HY-W037875-02Size: 50 gDry Ice: NoHazardous: No

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CAT#:0804-HY-W037875-02Size:50 g

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Description

α-Acetamidocinnamic acid is a Alkaloids product that can be isolated from the barks of Cinnamomum cassia Presl[1].

CAS Number

5469-45-4

UNSPSC

12352005

Hazard Statement

H315, H319

Target

Others

Type

Natural Products

Related Pathways

Others

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/α-acetamidocinnamic-acid.html

Purity

99.47

Smiles

O=C(O)/C(NC(C)=O)=C\C1=CC=CC=C1

Molecular Formula

C11H11NO3

Molecular Weight

205.21

Precautions

H315, H319

Shipping Conditions

Room Temperature

Storage Conditions

Store at room temperature 3 years

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

1-Acetamidocinnamic acid

CAS Number	5469-45-4
PubChem CID	699640
IUPAC Name	(E)-2-acetamido-3-phenylprop-2-enoic acid
Molecular Formula	C11H11NO3
Molecular Weight	205.21
XLogP	0
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	278

SMILES

CC(=O)N/C(=C/C1=CC=CC=C1)/C(=O)O

InChI

InChI=1S/C11H11NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13)(H,14,15)/b10-7+

InChIKey

XODAOBAZOQSFDS-JXMROGBWSA-N

Chemical Structure

2D Structure

CAS: 5469-45-4

CID: 699640

Formula: C11H11NO3

MW: 205.21

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	205.21
XLogP3	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	205.07389321
Monoisotopic Mass	205.07389321
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	278
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
sc-219467	α-Acetamidocinnamic Acid
OR5000T-01	Alpha-Acetamidocinnamic acid
FA70687-01	4-Acetamidocinnamic acid
A00860-01	A-Acetamidocinnamic Acid 98%
MBS6093208-01	p-Fluoro-a-acetamidocinnamic Acid
MBS6086683-01	2-Trifluoromethyl-a-acetamidocinnamic Acid
sc-212502	P-Fluoro-α-acetamidocinnamic Acid
sc-209265	2-Trifluoromethyl-α-acetamidocinnamic Acid
A00870-01	P-Acetamidocinnamic acid 97%
TRC-F587000-10G	p-Fluoro-Alpha-acetamidocinnamic Acid

α-Acetamidocinnamic acid

Chemical Information

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