Ethyl 4-cyanophenylacetate

CAT: 0127-OR89848-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR89848-01Size:1 g

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CAS Number

1528-41-2

MDL Number

MFCD09953133

Purity

98%

Smiles

CCOC(CC1=CC=C(C#N)C=C1)=O

Chemical Information

Ethyl 2-(4-cyanophenyl)acetate

CAS Number	1528-41-2
PubChem CID	279718
IUPAC Name	ethyl 2-(4-cyanophenyl)acetate
Molecular Formula	C11H11NO2
Molecular Weight	189.21
XLogP	2
Topological Polar Surface Area	50.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	233

SMILES

CCOC(=O)CC1=CC=C(C=C1)C#N

InChI

InChI=1S/C11H11NO2/c1-2-14-11(13)7-9-3-5-10(8-12)6-4-9/h3-6H,2,7H2,1H3

InChIKey

DFEWKWBIPMKGFG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1528-41-2

CID: 279718

Formula: C11H11NO2

MW: 189.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	189.21
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	189.078978594
Monoisotopic Mass	189.078978594
Topological Polar Surface Area	50.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	233
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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Catalog	Name
sc-269118	Ethyl 4-cyanophenylacetate
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