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Home > Fluorides > 138852-02-5
138852-02-5 | Pentanedioic acid, 3-(trifluoromethyl)-, 1,5-diethyl ester
CAS No: 138852-02-5 Catalog No: AG0019PX MDL No:
Product Description
Catalog Number:
AG0019PX
Chemical Name:
Pentanedioic acid, 3-(trifluoromethyl)-, 1,5-diethyl ester
CAS Number:
138852-02-5
Molecular Formula:
C10H15F3O4
Molecular Weight:
256.2189
IUPAC Name:
diethyl 3-(trifluoromethyl)pentanedioate
InChI:
InChI=1S/C10H15F3O4/c1-3-16-8(14)5-7(10(11,12)13)6-9(15)17-4-2/h7H,3-6H2,1-2H3
InChI Key:
VTWOCWLXEBQQRD-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(C(F)(F)F)CC(=O)OCC
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.092g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.221g/mol
Monoisotopic Mass:
256.092g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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