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1173466-55-1 | Sodium 1,1,1-trifluoro-4-furan-2-yl-4-oxo-but-2-en-2-olate
CAS No: 1173466-55-1 Catalog No: AG01F2I1 MDL No:
Product Description
Catalog Number:
AG01F2I1
Chemical Name:
Sodium 1,1,1-trifluoro-4-furan-2-yl-4-oxo-but-2-en-2-olate
CAS Number:
1173466-55-1
Molecular Formula:
C8H4F3NaO3
Molecular Weight:
228.1005
IUPAC Name:
sodium;1,1,1-trifluoro-4-(furan-2-yl)-4-oxobut-2-en-2-olate
InChI:
InChI=1S/C8H5F3O3.Na/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h1-4,13H;/q;+1/p-1
InChI Key:
YPWUQPRFGIEYOL-UHFFFAOYSA-M
SMILES:
[O-]/C(=C/C(=O)c1ccco1)/C(F)(F)F.[Na+]
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.001g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.102g/mol
Monoisotopic Mass:
228.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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