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116044-36-1 | Propanoic acid, 3,3,3-trifluoro-, octyl ester
CAS No: 116044-36-1 Catalog No: AG000BGQ MDL No:
Product Description
Catalog Number:
AG000BGQ
Chemical Name:
Propanoic acid, 3,3,3-trifluoro-, octyl ester
CAS Number:
116044-36-1
Molecular Formula:
C11H19F3O2
Molecular Weight:
240.2626
IUPAC Name:
octyl 3,3,3-trifluoropropanoate
InChI:
InChI=1S/C11H19F3O2/c1-2-3-4-5-6-7-8-16-10(15)9-11(12,13)14/h2-9H2,1H3
InChI Key:
XLBNISJOUFHFBQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)CC(F)(F)F
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.134g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.266g/mol
Monoisotopic Mass:
240.134g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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