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89635-62-1 | 2-Butanone, 3-(1,3-dioxolan-2-yl)-1-(4-fluorophenoxy)-3-methyl-
CAS No: 89635-62-1 Catalog No: AG003WIR MDL No:
Product Description
Catalog Number:
AG003WIR
Chemical Name:
2-Butanone, 3-(1,3-dioxolan-2-yl)-1-(4-fluorophenoxy)-3-methyl-
CAS Number:
89635-62-1
Molecular Formula:
C14H17FO4
Molecular Weight:
268.2808
IUPAC Name:
3-(1,3-dioxolan-2-yl)-1-(4-fluorophenoxy)-3-methylbutan-2-one
InChI:
InChI=1S/C14H17FO4/c1-14(2,13-17-7-8-18-13)12(16)9-19-11-5-3-10(15)4-6-11/h3-6,13H,7-9H2,1-2H3
InChI Key:
HPUHAPWKSFHVBD-UHFFFAOYSA-N
SMILES:
O=C(C(C1OCCO1)(C)C)COc1ccc(cc1)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:
268.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.284g/mol
Monoisotopic Mass:
268.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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