Home Carboxys 1H-Indene-5-carboxylic acid, 6-fluoro-2,3-dihydro-3-oxo-, methyl ester

1H-Indene-5-carboxylic acid, 6-fluoro-2,3-dihydro-3-oxo-, methyl ester

CAS No.:
1273651-10-7
Catalog Number:
AG000WZ0
Molecular Formula:
C11H9FO3
Molecular Weight:
208.1858
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Product Description
Catalog Number:
AG000WZ0
Chemical Name:
1H-Indene-5-carboxylic acid, 6-fluoro-2,3-dihydro-3-oxo-, methyl ester
CAS Number:
1273651-10-7
Molecular Formula:
C11H9FO3
Molecular Weight:
208.1858
MDL Number:
MFCD18647885
IUPAC Name:
methyl 6-fluoro-3-oxo-1,2-dihydroindene-5-carboxylate
InChI:
InChI=1S/C11H9FO3/c1-15-11(14)8-5-7-6(4-9(8)12)2-3-10(7)13/h4-5H,2-3H2,1H3
InChI Key:
MZSGXTIKKUDEKC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2C(=O)CCc2cc1F
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.054g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.188g/mol
Monoisotopic Mass:
208.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties