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Home > Fluorides > 138863-65-7
138863-65-7 | 2-Nonenoic acid, 3-(trifluoromethyl)-, ethyl ester
CAS No: 138863-65-7 Catalog No: AG0019PK MDL No:
Product Description
Catalog Number:
AG0019PK
Chemical Name:
2-Nonenoic acid, 3-(trifluoromethyl)-, ethyl ester
CAS Number:
138863-65-7
Molecular Formula:
C12H19F3O2
Molecular Weight:
252.2733
IUPAC Name:
ethyl 3-(trifluoromethyl)non-2-enoate
InChI:
InChI=1S/C12H19F3O2/c1-3-5-6-7-8-10(12(13,14)15)9-11(16)17-4-2/h9H,3-8H2,1-2H3
InChI Key:
AKEJMOQQTCJLED-UHFFFAOYSA-N
SMILES:
CCCCCCC(=CC(=O)OCC)C(F)(F)F
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.134g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.277g/mol
Monoisotopic Mass:
252.134g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5
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