Home Other Building Blocks methyl-7,7,7-trifluoro-6-(hydroxyimino)heptanoate

methyl-7,7,7-trifluoro-6-(hydroxyimino)heptanoate

CAS No.:
2138803-66-2
Catalog Number:
AG01EJRL
Molecular Formula:
C8H12F3NO3
Molecular Weight:
227.1810
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Product Description
Catalog Number:
AG01EJRL
Chemical Name:
methyl-7,7,7-trifluoro-6-(hydroxyimino)heptanoate
CAS Number:
2138803-66-2
Molecular Formula:
C8H12F3NO3
Molecular Weight:
227.1810
MDL Number:
MFCD31539825
IUPAC Name:
methyl (6E)-7,7,7-trifluoro-6-hydroxyiminoheptanoate
InChI:
InChI=1S/C8H12F3NO3/c1-15-7(13)5-3-2-4-6(12-14)8(9,10)11/h14H,2-5H2,1H3/b12-6+
InChI Key:
BBBUZANKVPQBFU-WUXMJOGZSA-N
SMILES:
COC(=O)CCCCC(=NO)C(F)(F)F
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
227.077g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.183g/mol
Monoisotopic Mass:
227.077g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties