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71346-17-3 | 4H-1-Benzopyran-3-carboxylicacid, 6-fluoro-4-oxo-
CAS No: 71346-17-3 Catalog No: AG005J2Q MDL No:MFCD03424505
Product Description
Catalog Number:
AG005J2Q
Chemical Name:
4H-1-Benzopyran-3-carboxylicacid, 6-fluoro-4-oxo-
CAS Number:
71346-17-3
Molecular Formula:
C10H5FO4
Molecular Weight:
208.1427
MDL Number:
MFCD03424505
IUPAC Name:
6-fluoro-4-oxochromene-3-carboxylic acid
InChI:
InChI=1S/C10H5FO4/c11-5-1-2-8-6(3-5)9(12)7(4-15-8)10(13)14/h1-4H,(H,13,14)
InChI Key:
VBSNAYJWUMOGOP-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(=O)c(co2)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:
1.9
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