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129922-54-9 | 2-Pentynoic acid, 4,4,5,5,5-pentafluoro-, ethyl ester
CAS No: 129922-54-9 Catalog No: AG000TSG MDL No:
Product Description
Catalog Number:
AG000TSG
Chemical Name:
2-Pentynoic acid, 4,4,5,5,5-pentafluoro-, ethyl ester
CAS Number:
129922-54-9
Molecular Formula:
C7H5F5O2
Molecular Weight:
216.1054
IUPAC Name:
ethyl 4,4,5,5,5-pentafluoropent-2-ynoate
InChI:
InChI=1S/C7H5F5O2/c1-2-14-5(13)3-4-6(8,9)7(10,11)12/h2H2,1H3
InChI Key:
BPNVIQXAKVAZMC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C#CC(C(F)(F)F)(F)F
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.021g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.107g/mol
Monoisotopic Mass:
216.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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