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Home > Fluorides > 1161004-57-4
1161004-57-4 | Pentanoic acid, 5,5-difluoro-4-oxo-, ethyl ester
CAS No: 1161004-57-4 Catalog No: AG000BNC MDL No:MFCD19689230
Product Description
Catalog Number:
AG000BNC
Chemical Name:
Pentanoic acid, 5,5-difluoro-4-oxo-, ethyl ester
CAS Number:
1161004-57-4
Molecular Formula:
C7H10F2O3
Molecular Weight:
180.1493
MDL Number:
MFCD19689230
IUPAC Name:
ethyl 5,5-difluoro-4-oxopentanoate
InChI:
InChI=1S/C7H10F2O3/c1-2-12-6(11)4-3-5(10)7(8)9/h7H,2-4H2,1H3
InChI Key:
WFCOGDWJQJCTRJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)C(F)F
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.06g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.151g/mol
Monoisotopic Mass:
180.06g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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