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1188911-72-9 | Methyl 3,3,3-trifluoro-2,2-dimethylpropanoate
CAS No: 1188911-72-9 Catalog No: AG0037W8 MDL No:MFCD18253569
Product Description
Catalog Number:
AG0037W8
Chemical Name:
Methyl 3,3,3-trifluoro-2,2-dimethylpropanoate
CAS Number:
1188911-72-9
Molecular Formula:
C6H9F3O2
Molecular Weight:
170.1297
MDL Number:
MFCD18253569
IUPAC Name:
methyl 3,3,3-trifluoro-2,2-dimethylpropanoate
InChI:
InChI=1S/C6H9F3O2/c1-5(2,4(10)11-3)6(7,8)9/h1-3H3
InChI Key:
ZVXAFVCHEIPHDR-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(F)(F)F)(C)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.055g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.131g/mol
Monoisotopic Mass:
170.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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