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142071-90-7

142071-90-7 | 2,4-Pentanedione, 1,1,1-trifluoro-, 2-oxime

CAS No: 142071-90-7 Catalog No: AG001HPD MDL No:

Product Description

Catalog Number:
AG001HPD
Chemical Name:
2,4-Pentanedione, 1,1,1-trifluoro-, 2-oxime
CAS Number:
142071-90-7
Molecular Formula:
C5H6F3NO2
Molecular Weight:
169.1018
IUPAC Name:
5,5,5-trifluoro-4-hydroxyiminopentan-2-one
InChI:
InChI=1S/C5H6F3NO2/c1-3(10)2-4(9-11)5(6,7)8/h11H,2H2,1H3
InChI Key:
NGBGOHIPOFNWKM-UHFFFAOYSA-N
SMILES:
ON=C(C(F)(F)F)CC(=O)C

Properties

Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.035g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.103g/mol
Monoisotopic Mass:
169.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.2  

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