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1994-13-4 | 2H-1-Benzopyran-2-one, 6-fluoro-4-hydroxy-
CAS No: 1994-13-4 Catalog No: AG002C3X MDL No:MFCD03094006
Product Description
Catalog Number:
AG002C3X
Chemical Name:
2H-1-Benzopyran-2-one, 6-fluoro-4-hydroxy-
CAS Number:
1994-13-4
Molecular Formula:
C9H5FO3
Molecular Weight:
180.1326
MDL Number:
MFCD03094006
IUPAC Name:
6-fluoro-4-hydroxychromen-2-one
InChI:
InChI=1S/C9H5FO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H
InChI Key:
JCOYNGQUPPGRNB-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(O)cc(=O)o2
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.134g/mol
Monoisotopic Mass:
180.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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