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82721-68-4 | 3-Octyn-2-ol, 5,5,6,6,7,7,8,8,8-nonafluoro-2-methyl-
CAS No: 82721-68-4 Catalog No: AG0050T4 MDL No:
Product Description
Catalog Number:
AG0050T4
Chemical Name:
3-Octyn-2-ol, 5,5,6,6,7,7,8,8,8-nonafluoro-2-methyl-
CAS Number:
82721-68-4
Molecular Formula:
C9H7F9O
Molecular Weight:
302.1369
IUPAC Name:
5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-3-yn-2-ol
InChI:
InChI=1S/C9H7F9O/c1-5(2,19)3-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h19H,1-2H3
InChI Key:
WITWPGGAZCIZSI-UHFFFAOYSA-N
SMILES:
CC(C#CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(O)C
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.035g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.14g/mol
Monoisotopic Mass:
302.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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