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1311283-96-1

1311283-96-1 | Sodium (E)-1-cyano-1-ethoxycarbonyl-3,3,3-trifluoro-propen-2-olate

CAS No: 1311283-96-1 Catalog No: AG01FGYV MDL No:

Product Description

Catalog Number:
AG01FGYV
Chemical Name:
Sodium (E)-1-cyano-1-ethoxycarbonyl-3,3,3-trifluoro-propen-2-olate
CAS Number:
1311283-96-1
IUPAC Name:
sodium;(E)-3-cyano-4-ethoxy-1,1,1-trifluoro-4-oxobut-2-en-2-olate
InChI:
InChI=1S/C7H6F3NO3.Na/c1-2-14-6(13)4(3-11)5(12)7(8,9)10;/h12H,2H2,1H3;/q;+1/p-1/b5-4+;
InChI Key:
STEKPLGHRINIQW-FXRZFVDSSA-M

Properties

Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
231.012g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.106g/mol
Monoisotopic Mass:
231.012g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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