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13038-26-1 | Pentanoic acid, 2,2,3,3,4,4,5,5,5-nonafluoro-, methyl ester
CAS No: 13038-26-1 Catalog No: AG000UCA MDL No:MFCD00443384
Product Description
Catalog Number:
AG000UCA
Chemical Name:
Pentanoic acid, 2,2,3,3,4,4,5,5,5-nonafluoro-, methyl ester
CAS Number:
13038-26-1
Molecular Formula:
C6H3F9O2
Molecular Weight:
278.0724
MDL Number:
MFCD00443384
IUPAC Name:
methyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
InChI:
InChI=1S/C6H3F9O2/c1-17-2(16)3(7,8)4(9,10)5(11,12)6(13,14)15/h1H3
InChI Key:
OSDPSOBLGQUCQX-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.999g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.074g/mol
Monoisotopic Mass:
277.999g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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