Ethyl Acetamidocyanoacetate

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CAS Number

4977-62-2

Synonyms

Ethyl 2-acetamido-2-cyanoacetate

Purity

97%

Smiles

CCOC(=O)C(C#N)NC(=O)C

Chemical Information

Ethyl acetamidocyanoacetate

CAS Number	4977-62-2
PubChem CID	95422
IUPAC Name	ethyl 2-acetamido-2-cyanoacetate
Molecular Formula	C7H10N2O3
Molecular Weight	170.17
XLogP	-0.2
Topological Polar Surface Area	79.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	228

SMILES

CCOC(=O)C(C#N)NC(=O)C

InChI

InChI=1S/C7H10N2O3/c1-3-12-7(11)6(4-8)9-5(2)10/h6H,3H2,1-2H3,(H,9,10)

InChIKey

SLIRLABNGAZSHX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4977-62-2

CID: 95422

Formula: C7H10N2O3

MW: 170.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.17
XLogP3	-0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	170.06914219
Monoisotopic Mass	170.06914219
Topological Polar Surface Area	79.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	228
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
abx182467-01	Ethyl acetamidocyanoacetate
E04180-01	Ethyl acetamidocyanoacetate 97%
237700-01	Ethyl acetamidocyanoacetate 98+% (GC)
106-33-2	Ethyl dodecanoate (Ethyl laurate)
MBS6052231-01	Ethyl Thiooxamate (Ethyl Aminothioxoacetate)
TRC-E937355-250MG	Ethyl Phthalyl Ethyl Glycolate
449671-01	Ethyl Laurate (Ethyl Dodecanoate)
105440 25	Ethyl Chloroformate (Ethyl Chlorocarbonate)
TRC-E917385-5G	Ethyl Laurate(Ethyl Dodecanoate)
RG-A261999-01	Ethyl Ethyl-D-Prolinate