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2-(ethoxymethylidene)-3-oxobutanenitrile

2-(ethoxymethylidene)-3-oxobutanenitrile

CAS: 105224-25-7

Formula: C7H9NO2

SMILES: CCOC=C(C#N)C(C)=O

IUPAC: 2-(ethoxymethylidene)-3-oxobutanenitrile

InChI: InChI=1S/C7H9NO2/c1-3-10-5-7(4-8)6(2)9/h5H,3H2,1-2H3

Composition: C (60.42%), H (6.52%), N (10.07%), O (22.99%)

Molar Mass: 139.154

Atom Count: 19

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 139.063328534
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey CRIIDVVGWAPYMC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.37
Topological Polar Surface Area 50.09
Polarizability 14.01
Ring Count 0
Rotatable Bond Count 3

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95% <5 Days 105224-25-7 $647.00-$2,200.00$647.00$1,300.00$2,200.00
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