Ethyl isonicotinylacetate

CAT: 0024-sc-285560Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-285560Size:1 g

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CAS Number

26377-17-3

Chemical Information

Ethyl 3-(4-pyridyl)-3-oxopropionate

CAS Number	26377-17-3
PubChem CID	2735202
IUPAC Name	ethyl 3-oxo-3-pyridin-4-ylpropanoate
Molecular Formula	C10H11NO3
Molecular Weight	193.20
XLogP	0.8
Topological Polar Surface Area	56.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	209

SMILES

CCOC(=O)CC(=O)C1=CC=NC=C1

InChI

InChI=1S/C10H11NO3/c1-2-14-10(13)7-9(12)8-3-5-11-6-4-8/h3-6H,2,7H2,1H3

InChIKey

PCJNYGPKMQQCPX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 26377-17-3

CID: 2735202

Formula: C10H11NO3

MW: 193.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.20
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	193.07389321
Monoisotopic Mass	193.07389321
Topological Polar Surface Area	56.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	209
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
sc-353430A	Ethyl 2-ethyl-5-nitronicotinate
sc-486835	Ethyl 2-ethyl-2-methylacetoacetate
sc-307902	(2-Ethoxy-ethyl) -ethyl-amine
sc-353430	Ethyl 2-ethyl-5-nitronicotinate
sc-294494A	Ethyl (S) - (-) -1-Ethyl-2-pyrrolidinecarboxylate
sc-487106	Ethyl (R) - (+) -1-ethyl-2-pyrrolidinecarboxylate
sc-287132	1-Ethyl-3-methylpyridinium Ethyl Sulfate
sc-294494	Ethyl (S) - (-) -1-Ethyl-2-pyrrolidinecarboxylate
sc-287132A	1-Ethyl-3-methylpyridinium Ethyl Sulfate
sc-327319	Ethyl 3-[ethyl (methyl) amino]butanoate

Catalog	Name
OR1003496-01	Ethyl ((2-[ethyl (methyl) aminio]ethyl) ) amine
AAA10633-01	Ethyl Laurate (Ethyl Dodecanoate)
TRC-E937355-2.5G	Ethyl Phthalyl Ethyl Glycolate
RG-A261999-01	Ethyl Ethyl-D-Prolinate
TRC-E917385-5G	Ethyl Laurate(Ethyl Dodecanoate)
OR1057866-01	Ethyl ethyl (methyl) carbamate
105440 2.5	Ethyl Chloroformate (Ethyl Chlorocarbonate)
106-33-2	Ethyl dodecanoate (Ethyl laurate)
MBS6052231-01	Ethyl Thiooxamate (Ethyl Aminothioxoacetate)
FE125194-01	Ethyl N-ethyl-beta-alaninate