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Home > Aldehydes > 126214-26-4
126214-26-4 | 2H-1-Benzopyran-3-carboxaldehyde, 6-fluoro-4-hydroxy-2-oxo-
CAS No: 126214-26-4 Catalog No: AG000SCT MDL No:
Product Description
Catalog Number:
AG000SCT
Chemical Name:
2H-1-Benzopyran-3-carboxaldehyde, 6-fluoro-4-hydroxy-2-oxo-
CAS Number:
126214-26-4
Molecular Formula:
C10H5FO4
Molecular Weight:
208.1427
IUPAC Name:
6-fluoro-4-hydroxy-2-oxochromene-3-carbaldehyde
InChI:
InChI=1S/C10H5FO4/c11-5-1-2-8-6(3-5)9(13)7(4-12)10(14)15-8/h1-4,13H
InChI Key:
MXCVMHDFWKBBIX-UHFFFAOYSA-N
SMILES:
O=Cc1c(=O)oc2c(c1O)cc(cc2)F
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:
1.6
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