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Home > Aldehydes > 921609-17-8
921609-17-8 | 4H-1-Benzopyran-8-carboxaldehyde, 5-fluoro-2-methyl-4-oxo-
CAS No: 921609-17-8 Catalog No: AG0064UN MDL No:
Product Description
Catalog Number:
AG0064UN
Chemical Name:
4H-1-Benzopyran-8-carboxaldehyde, 5-fluoro-2-methyl-4-oxo-
CAS Number:
921609-17-8
Molecular Formula:
C11H7FO3
Molecular Weight:
206.1699
IUPAC Name:
5-fluoro-2-methyl-4-oxochromene-8-carbaldehyde
InChI:
InChI=1S/C11H7FO3/c1-6-4-9(14)10-8(12)3-2-7(5-13)11(10)15-6/h2-5H,1H3
InChI Key:
ZTFRMKDKISJJLI-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c2c1oc(C)cc2=O)F
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.172g/mol
Monoisotopic Mass:
206.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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