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Home > Fluorides > 189949-33-5
189949-33-5 | 8-Nonen-1-one, 7,7-difluoro-6-hydroxy-1-phenyl-
CAS No: 189949-33-5 Catalog No: AG002E5K MDL No:
Product Description
Catalog Number:
AG002E5K
Chemical Name:
8-Nonen-1-one, 7,7-difluoro-6-hydroxy-1-phenyl-
CAS Number:
189949-33-5
Molecular Formula:
C15H18F2O2
Molecular Weight:
268.2990
IUPAC Name:
7,7-difluoro-6-hydroxy-1-phenylnon-8-en-1-one
InChI:
InChI=1S/C15H18F2O2/c1-2-15(16,17)14(19)11-7-6-10-13(18)12-8-4-3-5-9-12/h2-5,8-9,14,19H,1,6-7,10-11H2
InChI Key:
WANOXCOZUWVMEL-UHFFFAOYSA-N
SMILES:
C=CC(C(CCCCC(=O)c1ccccc1)O)(F)F
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.304g/mol
Monoisotopic Mass:
268.127g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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