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89115-58-2 | 3(2H)-Furanone, 5-(1,1-dimethylethyl)-2,2-difluoro-
CAS No: 89115-58-2 Catalog No: AG003YBL MDL No:
Product Description
Catalog Number:
AG003YBL
Chemical Name:
3(2H)-Furanone, 5-(1,1-dimethylethyl)-2,2-difluoro-
CAS Number:
89115-58-2
Molecular Formula:
C8H10F2O2
Molecular Weight:
176.1606
IUPAC Name:
5-tert-butyl-2,2-difluorofuran-3-one
InChI:
InChI=1S/C8H10F2O2/c1-7(2,3)6-4-5(11)8(9,10)12-6/h4H,1-3H3
InChI Key:
GKIJPRAKBGFACC-UHFFFAOYSA-N
SMILES:
CC(C1=CC(=O)C(O1)(F)F)(C)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.163g/mol
Monoisotopic Mass:
176.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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