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84131-44-2 | Cyclopentanecarboxylic acid, 1-fluoro-2-oxo-, ethyl ester
CAS No: 84131-44-2 Catalog No: AG004SHR MDL No:
Product Description
Catalog Number:
AG004SHR
Chemical Name:
Cyclopentanecarboxylic acid, 1-fluoro-2-oxo-, ethyl ester
CAS Number:
84131-44-2
Molecular Formula:
C8H11FO3
Molecular Weight:
174.1695
IUPAC Name:
ethyl 1-fluoro-2-oxocyclopentane-1-carboxylate
InChI:
InChI=1S/C8H11FO3/c1-2-12-7(11)8(9)5-3-4-6(8)10/h2-5H2,1H3
InChI Key:
PTZFYJUFLYSVIV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(F)CCCC1=O
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.171g/mol
Monoisotopic Mass:
174.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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