Ethyl N-cyanoethoxycarboximidate

CAT: 0926-SAA68646-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-SAA68646-01Size:100 mg

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CAS Number

17686-46-3

MDL Number

MFCD32668392

Smiles

CCOC (=NC#N) OCC

Molecular Formula

C6H10N2O2

Molecular Weight

142.16 g/mol

Controlled

Chemical Information

ethyl N-cyanoethoxycarboximidate

CAS Number	17686-46-3
PubChem CID	10866434
IUPAC Name	diethoxymethylidenecyanamide
Molecular Formula	C6H10N2O2
Molecular Weight	142.16
XLogP	1.6
Topological Polar Surface Area	54.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	148

SMILES

CCOC(=NC#N)OCC

InChI

InChI=1S/C6H10N2O2/c1-3-9-6(8-5-7)10-4-2/h3-4H2,1-2H3

InChIKey

TWUGFCKFSMKNDS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17686-46-3

CID: 10866434

Formula: C6H10N2O2

MW: 142.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.16
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	142.074227566
Monoisotopic Mass	142.074227566
Topological Polar Surface Area	54.6 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	148
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

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