2-Ethoxyethyl Cyanoacetate

CAT: 0024-sc-485979Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-485979Size:25 g

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CAS Number

32804-77-6

Chemical Information

2-Ethoxyethyl cyanoacetate

CAS Number	32804-77-6
PubChem CID	122967
IUPAC Name	2-ethoxyethyl 2-cyanoacetate
Molecular Formula	C7H11NO3
Molecular Weight	157.17
XLogP	0.2
Topological Polar Surface Area	59.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	11
Formal Charge	0
Complexity	158

SMILES

CCOCCOC(=O)CC#N

InChI

InChI=1S/C7H11NO3/c1-2-10-5-6-11-7(9)3-4-8/h2-3,5-6H2,1H3

InChIKey

UMCLCZMPTREESK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 32804-77-6

CID: 122967

Formula: C7H11NO3

MW: 157.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	157.17
XLogP3	0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	157.07389321
Monoisotopic Mass	157.07389321
Topological Polar Surface Area	59.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158
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-481922	2-Octyl cyanoacetate
sc-471597	2-Ethylhexyl cyanoacetate
sc-230479	2-Methoxyethyl cyanoacetate
sc-358739A	2-Ethoxyethyl acrylate
sc-476142	2-Ethoxyethyl Trichloroacetate
sc-230265	2-Ethoxyethyl methacrylate
sc-487685	2-Ethoxyethyl Isobutyrate
sc-482042	Haloxyfop-2-ethoxyethyl
sc-358739	2-Ethoxyethyl acrylate
sc-358258	Isobutyryl cyanoacetate