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116586-94-8

116586-94-8 | Propane, 1,1,1-trifluoro-3,3-dimethoxy-

CAS No: 116586-94-8 Catalog No: AG000CTG MDL No:MFCD04038368

Product Description

Catalog Number:
AG000CTG
Chemical Name:
Propane, 1,1,1-trifluoro-3,3-dimethoxy-
CAS Number:
116586-94-8
Molecular Formula:
C5H9F3O2
Molecular Weight:
158.1190
MDL Number:
MFCD04038368
IUPAC Name:
1,1,1-trifluoro-3,3-dimethoxypropane
InChI:
InChI=1S/C5H9F3O2/c1-9-4(10-2)3-5(6,7)8/h4H,3H2,1-2H3
InChI Key:
VMGIQGADPKWJFA-UHFFFAOYSA-N
SMILES:
COC(CC(F)(F)F)OC

Properties

Complexity:
87.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.055g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.12g/mol
Monoisotopic Mass:
158.055g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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