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99199-59-4 | 6-Fluoro-4-oxo-4H-chromene-2-carboxylic acid
CAS No: 99199-59-4 Catalog No: AG003N7Q MDL No:MFCD03070543
Product Description
Catalog Number:
AG003N7Q
Chemical Name:
6-Fluoro-4-oxo-4H-chromene-2-carboxylic acid
CAS Number:
99199-59-4
Molecular Formula:
C10H5FO4
Molecular Weight:
208.1427
MDL Number:
MFCD03070543
IUPAC Name:
6-fluoro-4-oxochromene-2-carboxylic acid
InChI:
InChI=1S/C10H5FO4/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-4H,(H,13,14)
InChI Key:
JZJYDFADRMBXAW-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(=O)cc(o2)C(=O)O
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.017g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.144g/mol
Monoisotopic Mass:
208.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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