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Home > Fluorides > 189638-88-8
189638-88-8 | Propanal, 3,3,3-trifluoro-2-methyl-, (2S)-
CAS No: 189638-88-8 Catalog No: AG002DTY MDL No:
Product Description
Catalog Number:
AG002DTY
Chemical Name:
Propanal, 3,3,3-trifluoro-2-methyl-, (2S)-
CAS Number:
189638-88-8
Molecular Formula:
C4H5F3O
Molecular Weight:
126.0771
IUPAC Name:
(2S)-3,3,3-trifluoro-2-methylpropanal
InChI:
InChI=1S/C4H5F3O/c1-3(2-8)4(5,6)7/h2-3H,1H3/t3-/m0/s1
InChI Key:
QLHMHPBDSYKXRI-VKHMYHEASA-N
SMILES:
O=C[C@@H](C(F)(F)F)C
Properties
Complexity:
85.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
126.029g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.078g/mol
Monoisotopic Mass:
126.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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